SCHEMBL4480682

SCHEMBL4480682

Cc1cc(C)c2c(C#N)c(C=CC(=O)NC3CCOC(C)(C)C3)n(CC3CCCO3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 6/20 0.33
GLA P06280 5/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 5/20 0.33
MEN1 O00255 3/20 0.33
GAA P10253 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
NPSR1 Q6W5P4 4/20 0.32
RXFP1 Q9HBX9 3/20 0.32
PARG Q86W56 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 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
SCHEMBL4480675 1.00 KMT2A (0.35) KMT2ARAB9AMAPTALDH1A1GLA
SCHEMBL4477868 0.86 HTT (0.37) KMT2ARAB9AALDH1A1KDM4EHPGD
SCHEMBL4477860 0.86 HTT (0.37) KMT2ARAB9AALDH1A1KDM4EHPGD
SCHEMBL4491956 0.85 BACE1 (0.35) KMT2ARAB9AMAPTALDH1A1GLA
SCHEMBL4491950 0.85 BACE1 (0.35) KMT2ARAB9AMAPTALDH1A1GLA
SCHEMBL4487043 0.84 ALDH1A1 (0.34) KMT2ARAB9AMAPTALDH1A1GLA
SCHEMBL4487037 0.84 ALDH1A1 (0.34) KMT2ARAB9AMAPTALDH1A1GLA
SCHEMBL4477528 0.83 TP53 (0.37) KMT2ARAB9AMAPTALDH1A1KDM4E
SCHEMBL4493360 0.83 MAPK10 (0.36) KMT2ARAB9AALDH1A1GLAKDM4E
SCHEMBL4493368 0.83 MAPK10 (0.36) KMT2ARAB9AALDH1A1GLAKDM4E

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 3881/4885RAB9A 3079/4885MAPT 4742/4885

“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.