SCHEMBL4466965

SCHEMBL4466965

Cc1cc(C)c2c(C#N)c(C=CC(=O)Nc3ccncc3)n(C3Cc4ccccc4C3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 4/20 0.35
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
TNKS O95271 5/20 0.34
TNKS2 Q9H2K2 5/20 0.34
LMNA P02545 3/20 0.34

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
SCHEMBL4466960 1.00 RAB9A (0.36) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL4464817 0.91 RAB9A (0.41) RAB9ANPC1MAPTHPGDKDM4E
SCHEMBL4464806 0.91 RAB9A (0.41) RAB9ANPC1MAPTHPGDKDM4E
SCHEMBL4477294 0.87 ROCK2 (0.33) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL4477302 0.87 ROCK2 (0.33) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL4481931 0.87 ROCK2 (0.33) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL4481939 0.87 ROCK2 (0.33) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL4474286 0.85 ALDH1A1 (0.37) RAB9ANPC1CYP1A2CYP2C19MAPT
SCHEMBL4474294 0.85 ALDH1A1 (0.37) RAB9ANPC1CYP1A2CYP2C19MAPT
SCHEMBL4475604 0.81 KMT2A (0.37) RAB9ANPC1MAPTKDM4EALDH1A1

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 4441/4885CYP1A2 936/4885

“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.