SCHEMBL929424

SCHEMBL929424

Cc1ccc(C)c(CN)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCR1 P32246 2/20 0.39
RAB9A P51151 2/20 0.39
CCR5 P51681 1/20 0.39
KMT2A Q03164 2/20 0.36
OPRK1 P41145 1/20 0.36
GFER P55789 1/20 0.35
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
NOS1 P29475 1/20 0.34
CYP1A2 P05177 3/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL7127321 0.80 KDM4E (0.46) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL5630218 0.79 NOS3 (0.33) NOS3NOS2NOS1
SCHEMBL9550990 0.77 KDM4E (0.32) KDM4EALDH1A1KMT2AOPRK1NOS3
SCHEMBL9007842 0.77 KDM4E (0.67) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL29672807 0.76 KDM4E (0.65) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL17433348 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL18806278 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL22853883 0.76 KDM4E (0.65) KDM4EALDH1A1HPGDUSP2HSD17B10
Hydrochloric Acid SCHEMBL18764595 0.76 KDM4E (0.39) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL10392770 0.74 KDM4E (0.42) KDM4EALDH1A1HPGDUSP2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2865446-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL KANTO KAGAKU (JP) 2021-09-22 EP claimed
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-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 US disclosed
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 US disclosed
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2018-11-15 US disclosed
EP-3220910-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES Merck Sharp & Dohme Corp. (US) 2017-09-27 EP disclosed
WO-2016081290-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-05-26 WO disclosed
WO-2016081290-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-05-26 WO 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-7875600-B2 Pyrimidine compounds as purine receptor antagonist VERNALIS (R&D) LIMITED (GB) 2011-01-25 US disclosed
US-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide VERNALIS (R & D ) LIMITED (GB) 2007-12-06 US disclosed
EP-1720553-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R&D) LTD (GB) 2006-11-15 EP disclosed
WO-2005079801-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R & D) LTD (GB) 2005-09-01 WO 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 (4 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 KDM4E 1802/4885ALDH1A1 9/4885HPGD 887/4885
US-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide ADORA2A, ADORA3, ADORA1 KDM4E 3444/4885ALDH1A1 562/4885HPGD 982/4885
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties ADORA2A, ADORA1, ADORA3 KDM4E 3600/4885ALDH1A1 591/4885HPGD 1913/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 KDM4E 3600/4885ALDH1A1 591/4885HPGD 1913/4885

“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.