SCHEMBL84515

SCHEMBL84515

CC(C)(C)c1ccc2c(N)n[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 15/20 0.55
JAK2 O60674 3/20 0.55
KIF11 P52732 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
AURKA O14965 6/20 0.45
AURKB Q96GD4 6/20 0.45
TGFBR1 P36897 6/20 0.45
ROCK1 Q13464 5/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.45
CHUK O15111 2/20 0.43
RPS6KB1 P23443 2/20 0.43
CDK2 P24941 2/20 0.43
KDR P35968 2/20 0.43
SYK P43405 2/20 0.43
JAK3 P52333 2/20 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
SCHEMBL6479720 0.86 JAK2 (0.66) PDPK1JAK2AURKAAURKBTGFBR1
SCHEMBL1690470 0.85 JAK2 (0.55) PDPK1JAK2KIF11KDM4ECYP3A4
SCHEMBL14039443 0.83 PDPK1 (0.49) PDPK1JAK2KDM4ECYP3A4GAA
SCHEMBL14346059 0.82 MITF (0.43) PDPK1JAK2AURKAAURKBTGFBR1
SCHEMBL10152397 0.81 KIF11 (0.47) PDPK1JAK2KIF11AURKAAURKB
SCHEMBL12962020 0.81 KIF11 (0.47) PDPK1JAK2KIF11KDM4EAURKA
SCHEMBL2662677 0.81 TRPA1 (0.56) PDPK1JAK2KIF11AURKAAURKB
SCHEMBL23478517 0.80 KIF11 (0.46) PDPK1JAK2KIF11AURKAAURKB
SCHEMBL14738709 0.80 KIF11 (0.46) PDPK1JAK2KIF11AURKAAURKB
SCHEMBL12258101 0.77 KIF11 (0.44) PDPK1JAK2KIF11KDM4EAURKA

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 68 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-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 US disclosed
US-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 US disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
US-20220308056-A1 BIOMARKER FOR ASSESSING THE RISK OF DEVELOPING ACUTE COVID-19 AND POST-ACUTE COVID-19 OMEROS CORPORATION 2022-09-29 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 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-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 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-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 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 (10 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA PDPK1 10/4885JAK2 161/4885KIF11 4257/4885
US-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 PDPK1 1823/4885JAK2 2680/4885KIF11 3428/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 PDPK1 1911/4885JAK2 2654/4885KIF11 3394/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 PDPK1 1823/4885JAK2 2680/4885KIF11 3428/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 PDPK1 1712/4885JAK2 237/4885KIF11 1031/4885
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS EIF2AK4, GPR119, GCN1 PDPK1 1188/4885JAK2 2843/4885KIF11 4012/4885
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 PDPK1 3211/4885JAK2 2678/4885KIF11 4280/4885
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-11661418-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 PDPK1 1911/4885JAK2 2654/4885KIF11 3394/4885

“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.