SCHEMBL5337022

SCHEMBL5337022

Nc1ccc(-n2cccn2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
NLRP3 Q96P20 3/20 0.45
LMNA P02545 2/20 0.43
PDK2 Q15119 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
G6PD P11413 1/20 0.41
MPO P05164 2/20 0.40
TDO2 P48775 1/20 0.40
HDAC4 P56524 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38

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
SCHEMBL3342462 0.84 NOTUM (0.49) NOTUMKDM4EALDH1A1MAPK1NLRP3
SCHEMBL2033116 0.84 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1NLRP3
SCHEMBL19260143 0.84 KDM4E (0.50) NOTUMKDM4EALDH1A1MAPK1NLRP3
SCHEMBL2191239 0.84 NOTUM (0.49) NOTUMKDM4EALDH1A1MAPK1NLRP3
SCHEMBL1353718 0.84 NOTUM (0.49) NOTUMKDM4EALDH1A1MAPK1NLRP3
SCHEMBL27926581 0.84 NOTUM (0.49) NOTUMKDM4EALDH1A1MAPK1NLRP3
Hydrochloric Acid SCHEMBL17389322 0.82 NOTUM (0.47) NOTUMKDM4EALDH1A1MAPK1NLRP3
SCHEMBL3639674 0.80 NOTUM (0.45) NOTUMKDM4EALDH1A1MAPK1NLRP3
SCHEMBL2188351 0.80 NLRP3 (0.45) NOTUMKDM4EALDH1A1MAPK1NLRP3
SCHEMBL8231759 0.80 TUBB4A (0.47) NOTUMKDM4EALDH1A1MAPK1NLRP3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-9643933-B2 Compounds useful as antibiotic tolerance inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2017-05-09 US disclosed
US-9643933-B2 Compounds useful as antibiotic tolerance inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2017-05-09 US disclosed
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 US disclosed
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
CN-104136431-A PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO 2014-11-05 CN disclosed
WO-2014176258-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2014-10-30 WO disclosed
WO-2007045096-A1 OLIGOHETEROAROMATIC LUMINISCENT ASSEMBLIES AS HIGH-AFFINITY DNA SEQUENCE-DIRECTED LIGANDS UNIVERSITY OF SASKATCHEWAN (CA) 2007-04-26 WO disclosed
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-15 US disclosed
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO 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 (5 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-20150152112-A1 COMPOUNDS F11, F12, F10 NOTUM 675/4885KDM4E 2446/4885ALDH1A1 1527/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 NOTUM 675/4885KDM4E 2446/4885ALDH1A1 1527/4885
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds KRT18, NOX5, TUBB3 NOTUM 2659/4885KDM4E 1607/4885ALDH1A1 193/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 NOTUM 2442/4885KDM4E 1342/4885ALDH1A1 1823/4885
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS CFTR, SLC11A2, MRPS18A NOTUM 3500/4885KDM4E 1749/4885ALDH1A1 2988/4885

“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.