SCHEMBL3099337

SCHEMBL3099337

Cc1oc(-c2ccncc2)cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.44
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
STAT1 P42224 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
SCHEMBL3104199 0.82 DDAH1 (0.46) ERN1CYP1A2CYP3A4CYP2C19CYP1B1
SCHEMBL3106911 0.81 CYP3A4 (0.55) ERN1CYP1A2CYP3A4CYP2C19CYP1A1
SCHEMBL3102521 0.80 CYP1A1 (0.44) CYP1A1CYP1B1GSK3BALDH1A1NPC1
SCHEMBL3102505 0.79 KDM4E (0.50) CYP1A2CYP1A1CYP1B1ALDH1A1NPC1
SCHEMBL3101569 0.79 ESR1 (0.56) ERN1CYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL3100220 0.79 NPC1 (0.55) ERN1CYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL3904591 0.79 CYP1A1 (0.44) CYP1A2CYP3A4CYP2C19CYP1A1CYP1B1
SCHEMBL3106747 0.78 EGFR (0.57) ERN1CYP3A4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3104461 0.77 CYP1A1 (0.42) ERN1CYP1A2CYP3A4CYP2C19CYP1A1
SCHEMBL3108897 0.76 PIK3CD (0.35) ERN1CYP3A4CYP2C19ALDH1A1POLB

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 ERN1 1620/4885CYP1A2 1570/4885CYP3A4 1502/4885

“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.