SCHEMBL4473584

SCHEMBL4473584

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)Nc3cccnc3)n(CCOc3ccccc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.41
NPC1 O15118 7/20 0.41
NOTUM Q6P988 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 4/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
NAMPT P43490 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
EIF4EBP1 Q13541 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL4473588 1.00 RAB9A (0.41) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL4472528 0.87 RAB9A (0.44) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4472521 0.87 RAB9A (0.44) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4479073 0.85 RAB9A (0.43) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4479081 0.85 RAB9A (0.43) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4479192 0.85 ALDH1A1 (0.40) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4479188 0.85 ALDH1A1 (0.40) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4465488 0.84 RAB9A (0.41) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4465484 0.84 RAB9A (0.41) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4477465 0.81 RAB9A (0.47) RAB9ANPC1MEN1KMT2AKDM4E

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 RAB9A 3079/4885NPC1 4441/4885NOTUM 3303/4885

“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.