SCHEMBL13660486

SCHEMBL13660486

O=C(C1Cc2ccncc2N1)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.42
HDAC2 Q92769 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
DPP4 P27487 2/20 0.39
FAP Q12884 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM4 P08173 1/20 0.38
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
HRH4 Q9H3N8 2/20 0.35

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
SCHEMBL14073993 0.81 GAA (0.61) HDAC2GAAMAPTDPP4FAP
SCHEMBL4999846 0.79 GAA (0.59) HDAC2GAAMAPTDPP4FAP
SCHEMBL23212526 0.79 MAPT (0.42) NAMPTGAAMAPTTSHRHRH4
SCHEMBL13660643 0.74 DPP4 (0.38) HDAC2DPP4FAPHPGDTSHR
SCHEMBL12641855 0.73 DPP4 (0.52) HDAC2GAAMAPTCHRM2CHRM3
SCHEMBL2608545 0.72 NAMPT (0.43) NAMPTGAAMAPTHPGD
SCHEMBL12641805 0.72 DPP4 (0.51) HDAC2GAAMAPTCHRM2CHRM3
SCHEMBL10293353 0.72 HPGD (0.43) HDAC2MAPTDPP4FAPHPGD
SCHEMBL14085098 0.70 GAA (0.58) GAAMAPTDPP4FAPHPGD
SCHEMBL22411406 0.69 MAPT (0.41) NAMPTGAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608627-B2 I kappa B kinase inhibition; diabetes; (7-Chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol; N-Benzyl-7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-27 US disclosed
US-20080064715-A1 6-Azaindole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-13 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 (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-20080064715-A1 6-Azaindole Compound RELA, NFKBIA, GPR119 NAMPT 1272/4885HDAC2 95/4885GAA 4189/4885

“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.