SCHEMBL91579

SCHEMBL91579

CCc1ccc2c(N)n[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 15/20 0.55
JAK2 O60674 2/20 0.55
KIF11 P52732 1/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
TGFBR1 P36897 6/20 0.46
AURKA O14965 5/20 0.46
AURKB Q96GD4 5/20 0.46
ROCK1 Q13464 3/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
PTK2B Q14289 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FGFR1 P11362 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6478485 0.86 JAK2 (0.66) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL1696402 0.85 JAK2 (0.55) PDPK1JAK2GAAKDM4ECYP3A4
SCHEMBL30882695 0.83 PDPK1 (0.56) PDPK1JAK2GAAKDM4ECYP3A4
SCHEMBL5391597 0.83 PDPK1 (0.56) PDPK1JAK2GAAKDM4ECYP3A4
SCHEMBL11753776 0.83 PDPK1 (0.49) PDPK1JAK2GAAKDM4ECYP3A4
SCHEMBL12125261 0.82 MEN1 (0.50) PDPK1JAK2GAATGFBR1AURKA
SCHEMBL4559295 0.82 SGK1 (0.49) PDPK1JAK2NPC1RAB9ASMN1; SMN2
SCHEMBL8348438 0.81 KIF11 (0.47) KIF11GAAKDM4EMEN1NPC1
SCHEMBL10189221 0.81 KIF11 (0.47) KIF11GAAMEN1NPC1ALDH1A1
SCHEMBL2144862 0.81 PDPK1 (0.59) PDPK1JAK2GAAKDM4ECYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-11130780-B2 Inhibitors of growth factor activation enzymes WASHINGTON UNIVERSITY (US) 2021-09-28 US disclosed
US-20210292436-A1 Methods of Inhibiting MASP-2 for the Treatment and/or Prevention of Coronavirus-induced Acute Respiratory Distress Syndrome OMEROS CORPORATION 2021-09-23 US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2018-03-08 US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-17 US disclosed
US-9079860-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US disclosed
US-7585855-B2 Bengamides with a substituted caprolactam cycle, method for the preparation thereof, compositions containing them and use thereof AVENTIS PHARMA SA (FR) 2009-09-08 US disclosed
US-7585855-B2 Bengamides with a substituted caprolactam cycle, method for the preparation thereof, compositions containing them and use thereof AVENTIS PHARMA SA (FR) 2009-09-08 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-20080318928-A1 BENGAMIDES WITH A SUBSTITUTED CAPROLACTAM CYCLE, METHOD FOR THE PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2008-12-25 US disclosed
US-20080318928-A1 BENGAMIDES WITH A SUBSTITUTED CAPROLACTAM CYCLE, METHOD FOR THE PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2008-12-25 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 US disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
US-20070249584-A1 BENGAMIDES WITH A SUBSTITUTED CAPROLACTAME CYCLE, METHOD FOR THE PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2007-10-25 US disclosed
US-20070249584-A1 BENGAMIDES WITH A SUBSTITUTED CAPROLACTAME CYCLE, METHOD FOR THE PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2007-10-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 PDPK1 2713/4885JAK2 441/4885KIF11 2545/4885
US-20070249584-A1 BENGAMIDES WITH A SUBSTITUTED CAPROLACTAME CYCLE, METHOD FOR THE PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF CDK4, CCNI, RCE1 PDPK1 2905/4885JAK2 1686/4885KIF11 2428/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 PDPK1 1712/4885JAK2 237/4885KIF11 1031/4885
US-20210292436-A1 Methods of Inhibiting MASP-2 for the Treatment and/or Prevention of Coronavirus-induced Acute Respiratory Distress Syndrome MASP2, ACE2, MAS1 PDPK1 2894/4885JAK2 678/4885KIF11 3792/4885
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 PDPK1 2713/4885JAK2 441/4885KIF11 2545/4885
US-11130780-B2 Inhibitors of growth factor activation enzymes HDGF, MMP7, HGF PDPK1 3145/4885JAK2 729/4885KIF11 4076/4885
US-20080318928-A1 BENGAMIDES WITH A SUBSTITUTED CAPROLACTAM CYCLE, METHOD FOR THE PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF CDK4, CCNI, CCNT2 PDPK1 2784/4885JAK2 1710/4885KIF11 2683/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 PDPK1 2713/4885JAK2 441/4885KIF11 2545/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 PDPK1 1911/4885JAK2 2654/4885KIF11 3394/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 PDPK1 1911/4885JAK2 2654/4885KIF11 3394/4885
US-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES HDGF, MMP7, HGF PDPK1 3145/4885JAK2 729/4885KIF11 4076/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.