SCHEMBL6457598

SCHEMBL6457598

COc1cccc([C@H](C)NC(=O)C2CCC(Nc3ncc(C)c(N(C)C)n3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
ROCK2 O75116 4/20 0.54
PRKG1 Q13976 2/20 0.54
MCHR1 Q99705 8/20 0.52
ADRA2A P08913 5/20 0.52
HRH1 P35367 5/20 0.52
HTR2B P41595 5/20 0.52
ADRA1A P35348 3/20 0.52
ACACB O00763 2/20 0.47
MAPK1 P28482 4/20 0.45
ROCK1 Q13464 1/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL6833245 1.00 POLB (0.56) POLBROCK2PRKG1MCHR1ADRA2A
SCHEMBL6458805 1.00 POLB (0.56) POLBROCK2PRKG1MCHR1ADRA2A
SCHEMBL6458800 1.00 POLB (0.56) POLBROCK2PRKG1MCHR1ADRA2A
SCHEMBL6457584 1.00 POLB (0.56) POLBROCK2PRKG1MCHR1ADRA2A
Hydrochloric Acid SCHEMBL6456654 0.99 POLB (0.56) POLBROCK2PRKG1MCHR1ADRA2A
Hydrochloric Acid SCHEMBL6456644 0.99 POLB (0.56) POLBROCK2PRKG1MCHR1ADRA2A
SCHEMBL6828396 0.90 ACACB (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6461468 0.90 ACACB (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6461475 0.90 ACACB (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463134 0.88 ACACB (0.56) POLBMCHR1ADRA2AHRH1HTR2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 POLB 3369/4885ROCK2 1435/4885PRKG1 2747/4885

“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.