SCHEMBL14366752

SCHEMBL14366752

Cc1cnc(CN)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
AOC3 Q16853 2/20 0.33
NUDT1 P36639 1/20 0.32
DPP4 P27487 4/20 0.32
HRH1 P35367 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL4865054 0.80 LMNA (0.38) AGXTHSP90AA1HSP90AB1CCR1CCR5
SCHEMBL4274877 0.80 HSP90AA1 (0.43) AGXTHSP90AA1HSP90AB1CCR1CCR5
SCHEMBL5606343 0.80 HSP90AA1 (0.43) AGXTHSP90AA1HSP90AB1CCR1CCR5
SCHEMBL15392290 0.80 HSP90AA1 (0.44) AGXTHSP90AA1HSP90AB1CCR1CCR5
SCHEMBL22820306 0.78 CCR1 (0.39) AGXTHSP90AA1HSP90AB1CCR1CCR5
SCHEMBL1056427 0.77 AGXT (0.69) AGXTHSP90AA1HSP90AB1
SCHEMBL2095358 0.76 HSP90AA1 (0.39) AGXTHSP90AA1HSP90AB1CCR1CCR5
SCHEMBL3396036 0.76 CCR1 (0.38) AGXTHSP90AA1HSP90AB1CCR1CCR5
SCHEMBL1758565 0.76 AGXT (0.40) AGXTHSP90AA1HSP90AB1CCR1CCR5
SCHEMBL9828008 0.76 HSP90AA1 (0.39) AGXTHSP90AA1HSP90AB1CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 US claimed
EP-2865446-A1 Process for producing optically active secondary alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2015-04-29 EP claimed
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-01-29 US claimed
EP-2865446-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL KANTO KAGAKU (JP) 2021-09-22 EP disclosed
US-20160311795-A1 PYRIMIDINE DIAMINE DERIVATIVES AS INHIBITORS OF CYTOSOLIC HSP90 CALASIA PHARMACEUTICALS, INC. 2016-10-27 US disclosed
US-20160311795-A1 PYRIMIDINE DIAMINE DERIVATIVES AS INHIBITORS OF CYTOSOLIC HSP90 CALASIA PHARMACEUTICALS, INC. 2016-10-27 US disclosed
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 US disclosed
EP-2865446-A1 Process for producing optically active secondary alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2015-04-29 EP disclosed
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-01-29 US disclosed
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-11-01 US 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 (3 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-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL ADH1A, ADH1C, ADH5 AGXT 1356/4885HSP90AA1 3336/4885HSP90AB1 2440/4885
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors HSP90B1, HSP90AB2P, HSP90AB1 AGXT 3755/4885HSP90AA1 4/4885HSP90AB1 3/4885
US-20160311795-A1 PYRIMIDINE DIAMINE DERIVATIVES AS INHIBITORS OF CYTOSOLIC HSP90 HSP90B1, HSP90AB2P, HSPE1 AGXT 2147/4885HSP90AA1 5/4885HSP90AB1 4/4885

“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.