SCHEMBL7904690

SCHEMBL7904690

Cc1ncc(-c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
NPC1 O15118 1/20 0.61
MAPK1 P28482 1/20 0.61
RAB9A P51151 1/20 0.61
GFER P55789 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SCN10A Q9Y5Y9 3/20 0.57
SCN2A Q99250 1/20 0.56
CYP2A6 P11509 1/20 0.53
LTA4H P09960 1/20 0.51
NPY5R Q15761 1/20 0.50
SCN5A Q14524 2/20 0.49
MAPT P10636 1/20 0.46
GCGR P47871 1/20 0.46
CSF1R P07333 1/20 0.44
KIT P10721 1/20 0.44
FLT3 P36888 1/20 0.44
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 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
SCHEMBL15747113 0.83 CYP2A6 (0.56) POLBNPC1MAPK1RAB9AGFER
SCHEMBL17066735 0.82 CYP2A6 (0.55) POLBNPC1MAPK1RAB9AGFER
SCHEMBL17066723 0.82 CYP2A6 (0.55) POLBNPC1MAPK1RAB9AGFER
SCHEMBL21662584 0.81 CYP2A6 (0.50) POLBNPC1MAPK1RAB9AGFER
SCHEMBL24427567 0.80 CYP2A6 (0.53) POLBNPC1MAPK1RAB9AGFER
SCHEMBL17533003 0.80 CYP2A6 (0.53) POLBNPC1MAPK1RAB9AGFER
SCHEMBL28559389 0.80 CYP2A6 (0.53) POLBNPC1MAPK1RAB9AGFER
SCHEMBL7483325 0.80 CYP2A6 (0.53) POLBNPC1RAB9AGFERCYP2A6
SCHEMBL9668668 0.80 CYP2A6 (0.53) POLBNPC1MAPK1RAB9AGFER
SCHEMBL5292919 0.79 CYP2A6 (0.67) SCN2ACYP2A6NPY5RCCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD. (CN) 2022-12-06 US disclosed
EP-3998263-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-05-18 EP disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 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 (2 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-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI POLB 4623/4885NPC1 1452/4885MAPK1 2517/4885
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof TFPI, TFPI2, F11 POLB 3258/4885NPC1 2039/4885MAPK1 793/4885

“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.