SCHEMBL4479317

SCHEMBL4479317

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
RAB9A P51151 1/20 0.38
GPR119 Q8TDV5 2/20 0.35
KDM4E B2RXH2 5/20 0.34
RECQL P46063 2/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTK2 Q05397 1/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 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
SCHEMBL4467111 0.96 CYP1A2 (0.40) CYP1A2CYP2C19CYP3A4RAB9AGPR119
SCHEMBL4480532 0.89 SMN1; SMN2 (0.42) CYP1A2CYP2C19KDM4ERECQLALDH1A1
SCHEMBL4469607 0.86 CYP1A2 (0.36) CYP1A2CYP2C19CYP3A4RAB9AGPR119
SCHEMBL4475755 0.83 SMN1; SMN2 (0.39) CYP1A2CYP2C19CYP3A4RAB9AKDM4E
SCHEMBL4475763 0.83 SMN1; SMN2 (0.39) CYP1A2CYP2C19CYP3A4RAB9AKDM4E
SCHEMBL4473544 0.83 CYP1A2 (0.36) CYP1A2CYP2C19CYP3A4RAB9AKDM4E
SCHEMBL4491288 0.81 POLB (0.38) CYP1A2CYP2C19CYP3A4RAB9AGPR119
SCHEMBL4491294 0.81 POLB (0.38) CYP1A2CYP2C19CYP3A4RAB9AGPR119
SCHEMBL4470471 0.79 RAB9A (0.39) RAB9AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4470470 0.79 RAB9A (0.39) RAB9AKDM4EALDH1A1LMNASMN1; SMN2

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 CYP1A2 936/4885CYP2C19 895/4885CYP3A4 973/4885

“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.