SCHEMBL4475604

SCHEMBL4475604

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)Nc3ccccc3)n([C@H]3CCCc4ccccc43)c2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 3/20 0.35
CD38 P28907 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NTRK1 P04629 1/20 0.33
MAPT P10636 2/20 0.33
PTGS2 P35354 2/20 0.33
CDK2 P24941 1/20 0.33
GCGR P47871 1/20 0.32
PTGS1 P23219 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 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
SCHEMBL4475609 1.00 KMT2A (0.37) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4477525 0.95 ATM (0.36) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4477532 0.95 ATM (0.36) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4492169 0.95 LMNA (0.37) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4492162 0.95 LMNA (0.37) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4477294 0.95 ROCK2 (0.33) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4481939 0.95 ROCK2 (0.33) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4484201 0.95 POLB (0.37) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4481931 0.95 ROCK2 (0.33) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4484206 0.95 POLB (0.37) KMT2AMEN1RAB9ASMN1; SMN2NPC1

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 KMT2A 3881/4885MEN1 4657/4885RAB9A 3079/4885

“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.