SCHEMBL3098571

SCHEMBL3098571

COc1cncc(-c2cc(C=O)c(C)o2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.44
CYP11B2 P19099 12/20 0.44
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
MKNK2 Q9HBH9 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKACA P17612 1/20 0.38
ROCK1 Q13464 1/20 0.38
DYRK1A Q13627 1/20 0.38
NTRK3 Q16288 1/20 0.38
PKN2 Q16513 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
STK17A Q9UEE5 1/20 0.38
ERN1 O75460 1/20 0.37
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3104461 0.83 CYP1A1 (0.42) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL3106765 0.81 MKNK1 (0.35) CYP11B1CYP11B2CYP1A2CYP3A4CYP1A1
SCHEMBL3106747 0.78 EGFR (0.57) CYP3A4ERN1
SCHEMBL3091522 0.78 ALDH1A1 (0.52) CYP1A2CYP3A4CYP2C9CYP1A1CYP1B1
SCHEMBL3106911 0.75 CYP3A4 (0.55) CYP1A2CYP3A4CYP2C9CYP1A1CYP1B1
SCHEMBL3099337 0.73 ERN1 (0.44) CYP1A2CYP3A4CYP1A1CYP1B1ERN1
SCHEMBL3102273 0.72 PTGER4 (0.43) CYP1A2ERN1CYP2C19
SCHEMBL3102009 0.72 ERN1 (0.53) MKNK2MKNK1ERN1
SCHEMBL5702666 0.71 CYP1A1 (0.74) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL3108897 0.70 PIK3CD (0.35) CYP3A4CYP2C9ERN1CYP2C19PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP 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 (1 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR CYP11B1 151/4885CYP11B2 167/4885CYP1A2 1570/4885

“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.