SCHEMBL4477294

SCHEMBL4477294

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)Nc3ccncc3)n(C3CCCc4ccccc43)c2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
TNKS O95271 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CD38 P28907 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 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
SCHEMBL4477302 1.00 ROCK2 (0.33) ROCK2ROCK1TNKSTNKS2MAPK1
SCHEMBL4481931 1.00 ROCK2 (0.33) ROCK2ROCK1TNKSTNKS2MAPK1
SCHEMBL4481939 1.00 ROCK2 (0.33) ROCK2ROCK1TNKSTNKS2MAPK1
SCHEMBL4475604 0.95 KMT2A (0.37) KMT2ASMN1; SMN2NPC1RAB9ACD38
SCHEMBL4475609 0.95 KMT2A (0.37) KMT2ASMN1; SMN2NPC1RAB9ACD38
SCHEMBL4477525 0.93 ATM (0.36) KMT2ASMN1; SMN2NPC1RAB9ACD38
SCHEMBL4477532 0.93 ATM (0.36) KMT2ASMN1; SMN2NPC1RAB9ACD38
SCHEMBL4484201 0.93 POLB (0.37) KMT2ASMN1; SMN2NPC1RAB9ACD38
SCHEMBL4492162 0.93 LMNA (0.37) KMT2ASMN1; SMN2NPC1RAB9ACD38
SCHEMBL4484206 0.93 POLB (0.37) KMT2ASMN1; SMN2NPC1RAB9ACD38

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 ROCK2 4117/4885ROCK1 4210/4885TNKS 3895/4885

“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.