SCHEMBL4470476

SCHEMBL4470476

Cc1cc(C)c2c(C#N)c(C=O)n(Cc3ccccc3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.55
KDM4E B2RXH2 6/20 0.55
TSHR P16473 5/20 0.55
KMT2A Q03164 4/20 0.55
HTT P42858 3/20 0.55
MEN1 O00255 2/20 0.55
PSMD14 O00487 1/20 0.55
POLB P06746 1/20 0.47
ALDH1A1 P00352 9/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.43
HSD17B10 Q99714 3/20 0.43
HIF1A Q16665 1/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4465191 0.88 AR (0.45) HPGDKDM4ETSHRKMT2AHTT
SCHEMBL4481881 0.86 KMT2A (0.50) HPGDKDM4ETSHRKMT2AHTT
SCHEMBL4481877 0.86 KMT2A (0.50) HPGDKDM4ETSHRKMT2AHTT
SCHEMBL4476545 0.84 HPGD (0.40) HPGDKDM4ETSHRKMT2AHTT
SCHEMBL4486445 0.83 ALDH1A1 (0.41) HPGDKDM4ETSHRKMT2AHTT
SCHEMBL4479256 0.82 SMN1; SMN2 (0.45) HPGDKDM4ETSHRKMT2AHTT
SCHEMBL4480577 0.79 ALDH1A1 (0.43) HPGDKDM4ETSHRKMT2AHTT
SCHEMBL4480585 0.79 ALDH1A1 (0.43) HPGDKDM4ETSHRKMT2AHTT
SCHEMBL4480532 0.77 SMN1; SMN2 (0.42) HPGDKDM4ETSHRKMT2AHTT
SCHEMBL4487025 0.77 AR (0.41) HPGDKDM4ETSHRKMT2AHTT

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.