SCHEMBL4485481

SCHEMBL4485481

Cc1cc(C)c2c(C#N)cn([C@@H]3CCCc4ccccc43)c2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAOB P27338 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
EED O75530 1/20 0.35
P2RX7 Q99572 2/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNA7 P36544 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CD38 P28907 2/20 0.34
PDE7A Q13946 1/20 0.34
PDE7B Q9NP56 1/20 0.34
HTT P42858 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 1.00 CYP11B2 (0.36) CYP11B2ADORA3MAOBADORA2AADORA1
SCHEMBL4492080 1.00 CYP11B2 (0.36) CYP11B2ADORA3MAOBADORA2AADORA1
SCHEMBL4480923 0.94 P2RX7 (0.38) CYP11B2MAOBEEDP2RX7KDM4E
SCHEMBL4478779 0.81 HSD17B10 (0.38) KDM4EALDH1A1SMN1; SMN2CASP1CASP7
SCHEMBL4465193 0.79 PARP1 (0.44) CYP11B2
SCHEMBL4478622 0.77 ALDH1A1 (0.41) CYP11B2MAOBEEDP2RX7KDM4E
SCHEMBL4487077 0.75 PDE7A (0.37) ADORA3MAOBADORA2AADORA1KDM4E
SCHEMBL4477285 0.75 PDE7A (0.37) ADORA3MAOBADORA2AADORA1KDM4E
SCHEMBL4480752 0.75 PDE7A (0.37) ADORA3MAOBADORA2AADORA1KDM4E
SCHEMBL4479482 0.74 PARP1 (0.38) CYP11B2MAOB

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 CYP11B2 797/4885ADORA3 290/4885MAOB 1332/4885

“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.