SCHEMBL3102569

SCHEMBL3102569

Cc1cn(-c2cccc(C(F)(F)F)c2)cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
NOTUM Q6P988 2/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
AR P10275 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPY5R Q15761 1/20 0.40
HTT P42858 1/20 0.40
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2C P28335 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL3089719 0.81 FAAH (0.40) NOTUMPOLBKMT2AMEN1ALDH1A1
SCHEMBL12137300 0.76 ALDH1A1 (0.47) CYP1A2POLBKMT2AMEN1ALDH1A1
SCHEMBL3604258 0.74 NOTUM (0.61) CYP1A2NOTUMPOLBKMT2AMEN1
SCHEMBL6223353 0.73 SCN2B (0.47) CYP1A2NOTUMARALDH1A1HTT
SCHEMBL3102321 0.73 NOTUM (0.47) CYP1A2NOTUMPOLBKMT2AMEN1
SCHEMBL9704022 0.72 GABRB3 (0.41)
SCHEMBL3111662 0.70 ALDH1A1 (0.44) POLBKMT2AMEN1ALDH1A1HTT
SCHEMBL16974005 0.70 POLB (0.54) CYP1A2POLBKMT2AMEN1ALDH1A1
SCHEMBL24554045 0.69 KMT2A (0.55) CYP1A2NOTUMPOLBKMT2AMEN1
SCHEMBL29955120 0.69 NPC1 (0.51) CYP1A2POLBKMT2AMEN1NPY5R

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 CYP1A2 1570/4885NOTUM 2196/4885POLB 4758/4885

“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.