SCHEMBL4478779

SCHEMBL4478779

Cc1cc(C)c2c(C#N)cn(C3Cc4ccccc4C3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 2/20 0.36
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
CRHR1 P34998 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL4484398 0.81 CYP11B2 (0.36) HSD17B10KDM4EALDH1A1SMN1; SMN2CASP1
SCHEMBL4485481 0.81 CYP11B2 (0.36) HSD17B10KDM4EALDH1A1SMN1; SMN2CASP1
SCHEMBL4492080 0.81 CYP11B2 (0.36) HSD17B10KDM4EALDH1A1SMN1; SMN2CASP1
SCHEMBL4480923 0.81 P2RX7 (0.38) HSD17B10KDM4EALDH1A1HPGDGLA
SCHEMBL4465216 0.71 MAPT (0.37) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL4481874 0.70 KDM4E (0.48) HSD17B10KDM4EALDH1A1HPGDGLA
SCHEMBL4478406 0.70 KDM4E (0.41) HSD17B10KDM4EALDH1A1HPGDGLA
SCHEMBL4465193 0.69 PARP1 (0.44) TSHRMAPTCYP3A4NPC1
SCHEMBL4473346 0.68 ALDH1A1 (0.40) HSD17B10KDM4EALDH1A1HPGDGLA
SCHEMBL16247026 0.68 KDM5A (0.38) HSD17B10KDM4EALDH1A1HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582651-B2 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-01 US disclosed
US-20060167038-A1 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1535922-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 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-20060167038-A1 Pyrrolopyridine derivative and use thereof OPRD1, TRPV1, OPRM1 HSD17B10 2301/4885KDM4E 2991/4885ALDH1A1 1363/4885

“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.