SCHEMBL3106765

SCHEMBL3106765

Cc1oc(-c2cncc(Cl)c2)cc1C=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ERN1 O75460 6/20 0.32
FGFR1 P11362 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
BACE1 P56817 1/20 0.30
KCNH2 Q12809 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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 0.84 CYP1A1 (0.42) ERN1CYP1A2CYP1A1CYP1B1HCAR2
SCHEMBL3098571 0.81 CYP11B1 (0.44) MKNK1MKNK2ERN1CYP1A2CYP1A1
SCHEMBL3100220 0.78 NPC1 (0.55) NPC1RAB9AERN1CYP1A2CYP1A1
SCHEMBL3104507 0.77 SLC9A1 (0.48) CYP1A2CYP1A1CYP1B1PTGS2
SCHEMBL3106911 0.76 CYP3A4 (0.55) NPC1RAB9AERN1CYP1A2CYP1A1
SCHEMBL3103952 0.75 ERN1 (0.39) NPC1RAB9AERN1KCNH2
SCHEMBL3099337 0.74 ERN1 (0.44) NPC1RAB9AERN1CYP1A2CYP1A1
SCHEMBL14395776 0.72 CYP2E1 (0.58) MKNK1MKNK2NPC1RAB9ACYP3A4
SCHEMBL3102521 0.72 CYP1A1 (0.44) NPC1RAB9ACYP1A1CYP1B1
SCHEMBL3108897 0.71 PIK3CD (0.35) ERN1PTGS2CYP3A4CYP2D6CYP2C19

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 MKNK1 3424/4885MKNK2 3480/4885NPC1 3994/4885

“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.