SCHEMBL4480923

SCHEMBL4480923

Cc1cc(C)c2c(C#N)cn(C3CCc4ccccc43)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.38
AGTR1 P30556 3/20 0.36
PPARG P37231 3/20 0.36
CYP11B2 P19099 2/20 0.35
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP11B1 P15538 1/20 0.34
MAOB P27338 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C19 P33261 1/20 0.34
HBB P68871 1/20 0.34

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
SCHEMBL4485481 0.94 CYP11B2 (0.36) P2RX7CYP11B2KDM4EALDH1A1HSD17B10
SCHEMBL4484398 0.94 CYP11B2 (0.36) P2RX7CYP11B2KDM4EALDH1A1HSD17B10
SCHEMBL4492080 0.94 CYP11B2 (0.36) P2RX7CYP11B2KDM4EALDH1A1HSD17B10
SCHEMBL4478622 0.83 ALDH1A1 (0.41) P2RX7CYP11B2MAPK1KDM4EALDH1A1
SCHEMBL4478779 0.81 HSD17B10 (0.38) MAPK1KDM4EALDH1A1GLAHPGD
SCHEMBL4469849 0.79 P2RX7 (0.33) P2RX7CYP11B2MAPK1KDM4EALDH1A1
SCHEMBL4480708 0.79 CYP11B2 (0.35) P2RX7AGTR1PPARGCYP11B2KDM4E
SCHEMBL4479482 0.78 PARP1 (0.38) CYP11B2CYP11B1MAOBLMNAMAPT
SCHEMBL4465193 0.75 PARP1 (0.44) CYP11B2LMNAMAPT
SCHEMBL4480042 0.74 AGTR1 (0.37) AGTR1PPARGKDM4EALDH1A1HSD17B10

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 P2RX7 144/4885AGTR1 227/4885PPARG 1174/4885

“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.