SCHEMBL4476545

SCHEMBL4476545

Cc1cc(C)c2c(C#N)c(C=O)n(CC(c3ccccc3)c3ccccc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.40
KDM4E B2RXH2 4/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PSMD14 O00487 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 9/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL4482614 0.87 SMN1; SMN2 (0.40) HPGDKDM4ETSHRKMT2AMEN1
SCHEMBL4482610 0.87 SMN1; SMN2 (0.40) HPGDKDM4ETSHRKMT2AMEN1
SCHEMBL4470476 0.84 HPGD (0.55) HPGDKDM4ETSHRKMT2AMEN1
SCHEMBL4480532 0.82 SMN1; SMN2 (0.42) HPGDKDM4ETSHRKMT2AMEN1
SCHEMBL4479256 0.80 SMN1; SMN2 (0.45) HPGDKDM4ETSHRKMT2AMEN1
SCHEMBL4491967 0.79 RAB9A (0.40) HPGDKDM4EKMT2AMEN1HTT
SCHEMBL4491963 0.79 RAB9A (0.40) HPGDKDM4EKMT2AMEN1HTT
SCHEMBL4479073 0.77 RAB9A (0.43) HPGDKDM4EKMT2AMEN1HTT
SCHEMBL4479081 0.77 RAB9A (0.43) HPGDKDM4EKMT2AMEN1HTT
SCHEMBL4467111 0.77 CYP1A2 (0.40) HPGDKDM4ETSHRSMN1; SMN2CYP1A2

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 HPGD 75/4885KDM4E 2991/4885TSHR 1465/4885

“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.