SCHEMBL758632

SCHEMBL758632

Ic1cccnc1N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
PIK3CA P42336 7/20 0.47
PTK2 Q05397 1/20 0.45
LRRK2 Q5S007 1/20 0.44
PIK3CD O00329 5/20 0.44
PIK3CG P48736 4/20 0.44
ALOX15 P16050 1/20 0.43
METAP1 P53582 1/20 0.43
MTOR P42345 2/20 0.43
JAK3 P52333 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
SCHEMBL16334961 0.83 CYP1A2 (0.53) CYP1A2CYP2C9MAPK1KDM4E
SCHEMBL612191 0.79 EPHX2 (0.59) KDM4E
SCHEMBL164174 0.79 CYP1A2 (0.56) CYP1A2CYP2C9POLBPIK3CALRRK2
SCHEMBL3436634 0.79 CYP1A2 (0.56) CYP1A2CYP2C9MAPK1POLBLMNA
SCHEMBL1551043 0.79 CYP1A2 (0.56) CYP1A2CYP2C9MAPK1POLBKDM4E
SCHEMBL1725284 0.79 CYP1A2 (0.56) CYP1A2CYP2C9MAPK1POLBKDM4E
SCHEMBL29445436 0.79 CYP1A2 (0.56) CYP1A2CYP2C9MAPK1POLBKDM4E
SCHEMBL1432779 0.79 CYP1A2 (0.56) CYP1A2CYP2C9MAPK1POLBKDM4E
Hydrochloric Acid SCHEMBL11062761 0.77 EPHX2 (0.58) KDM4E
Potassium SCHEMBL29930071 0.77 CYP1A2 (0.55) CYP1A2CYP2C9POLBPIK3CALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105392777-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2020-09-22 CN disclosed
EP-3013796-B9 BIARYL DERIVATIVES AS GPR120 AGONISTS LG CHEMICAL LTD (KR) 2020-07-01 EP disclosed
EP-3628661-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG CHEM, LTD. (KR) 2020-04-01 EP disclosed
US-10221138-B2 Biaryl derivatives as GPR120 agonists LG CHEM, LTD. (KR) 2019-03-05 US disclosed
US-20160168096-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2016-06-16 US disclosed
EP-3013796-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG Life Sciences Ltd. (KR) 2016-05-04 EP disclosed
EP-2516445-B1 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON INC (US) 2015-03-11 EP disclosed
WO-2014209034-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2014-12-31 WO disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 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 (4 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 CYP1A2 15/4885CYP2C9 19/4885MAPK1 1449/4885
US-20160168096-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS GPR119, GLP1R, GIPR CYP1A2 594/4885CYP2C9 2440/4885MAPK1 1448/4885
US-10221138-B2 Biaryl derivatives as GPR120 agonists GPR119, GLP1R, GIPR CYP1A2 594/4885CYP2C9 2440/4885MAPK1 1448/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 CYP1A2 15/4885CYP2C9 19/4885MAPK1 1449/4885

“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.