SCHEMBL4475763

SCHEMBL4475763

Cc1cc(C)c2c(C#N)c(C=CC(=O)O)n(C(c3ccccc3)c3ccc(F)cc3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.36
ALDH1A1 P00352 7/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARA Q07869 2/20 0.34
HPGD P15428 5/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 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
SCHEMBL4475755 1.00 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1POLBALDH1A1CYP1A2
SCHEMBL4469607 0.97 CYP1A2 (0.36) SMN1; SMN2NPSR1POLBALDH1A1CYP1A2
SCHEMBL4470782 0.94 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1POLBALDH1A1CYP1A2
SCHEMBL4470785 0.94 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1POLBALDH1A1CYP1A2
SCHEMBL4467111 0.88 CYP1A2 (0.40) SMN1; SMN2NPSR1POLBALDH1A1CYP1A2
SCHEMBL4473544 0.86 CYP1A2 (0.36) SMN1; SMN2NPSR1ALDH1A1CYP1A2CYP3A4
SCHEMBL4491288 0.85 POLB (0.38) SMN1; SMN2NPSR1POLBALDH1A1CYP1A2
SCHEMBL4491294 0.85 POLB (0.38) SMN1; SMN2NPSR1POLBALDH1A1CYP1A2
SCHEMBL4479317 0.83 CYP1A2 (0.43) SMN1; SMN2NPSR1POLBALDH1A1CYP1A2
SCHEMBL4470470 0.83 RAB9A (0.39) SMN1; SMN2NPSR1POLBALDH1A1HPGD

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 SMN1; SMN2 3351/4885NPSR1 85/4885POLB 3355/4885

“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.