SCHEMBL4478622

SCHEMBL4478622

Cc1ccc2c(C#N)cn(C3CCc4ccccc43)c2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
P2RX7 Q99572 2/20 0.39
EED O75530 2/20 0.37
CYP11B2 P19099 2/20 0.36
KCNA3 P22001 1/20 0.36
MAOB P27338 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH4 Q9H3N8 1/20 0.33
CRHR1 P34998 1/20 0.32
CHRNA7 P36544 1/20 0.32
CMA1 P23946 1/20 0.32
CYP11B1 P15538 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4480923 0.83 P2RX7 (0.38) ALDH1A1P2RX7EEDCYP11B2MAOB
SCHEMBL4484398 0.77 CYP11B2 (0.36) ALDH1A1P2RX7EEDCYP11B2MAOB
SCHEMBL4492080 0.77 CYP11B2 (0.36) ALDH1A1P2RX7EEDCYP11B2MAOB
SCHEMBL4485481 0.77 CYP11B2 (0.36) ALDH1A1P2RX7EEDCYP11B2MAOB
SCHEMBL4471445 0.75 ALDH1A1 (0.38) ALDH1A1P2RX7EEDCYP11B2MAOB
SCHEMBL8513604 0.75 XDH (0.38) HRH4
SCHEMBL4480708 0.73 CYP11B2 (0.35) ALDH1A1P2RX7EEDCYP11B2KCNA3
SCHEMBL4469849 0.73 P2RX7 (0.33) ALDH1A1P2RX7EEDCYP11B2KCNA3
SCHEMBL4478374 0.71 ALDH1A1 (0.39) ALDH1A1MAOBKDM4ECMA1HPGD
SCHEMBL4478365 0.71 ALDH1A1 (0.39) ALDH1A1MAOBKDM4ECMA1HPGD

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 ALDH1A1 1363/4885P2RX7 144/4885EED 2055/4885

“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.