SCHEMBL5132886

SCHEMBL5132886

CN(C)c1ncc(N)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 4/20 0.48
ALOX15 P16050 2/20 0.48
GRM5 P41594 2/20 0.43
CYP1A2 P05177 3/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
CREBBP Q92793 1/20 0.38
KCNH2 Q12809 1/20 0.37
HPGD P15428 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35

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
Hydrochloric Acid SCHEMBL30189824 0.97 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EALOX15GRM5
SCHEMBL23634029 0.77 HRH3 (0.37) ALDH1A1HSD17B10KDM4EALOX15GRM5
SCHEMBL3129653 0.74 HSD17B10 (0.50) ALDH1A1HSD17B10KDM4EALOX15GRM5
Trimethylammonium SCHEMBL28757156 0.74 HSP90AA1 (0.38) ALDH1A1KDM4EALOX15LMNACYP3A4
SCHEMBL19276438 0.72 HSD17B10 (0.48) ALDH1A1HSD17B10KDM4EALOX15GRM5
SCHEMBL13556548 0.72 HSD17B10 (0.48) ALDH1A1HSD17B10KDM4EALOX15GRM5
SCHEMBL629463 0.72 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EALOX15GRM5
SCHEMBL4926690 0.72 HSD17B10 (0.54) ALDH1A1HSD17B10KDM4EALOX15GRM5
SCHEMBL3129639 0.72 HSD17B10 (0.48) ALDH1A1HSD17B10KDM4EALOX15GRM5
SCHEMBL30775296 0.72 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EALOX15GRM5

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981342-A1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS Reddy US Therapeutics, Inc. (US) 2008-10-22 EP claimed
WO-2007075194-A1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDY US THERAPEUTICS, INC. (US) 2007-07-05 WO claimed
US-6726729-B2 DYEING USING MIXTURES OF OXIDATION COLOR DYE CHEMICAL INTERMEDIATES, HAIR CONDITIONERS AND OXIDIZERS IN SHAMPOOS, THEN RINSING WITH WATER UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-04-27 US claimed
WO-2025229624-A2 NEW CD38 INHIBITORS NAPA THERAPEUTICS LIMITED (GB) 2025-11-06 WO disclosed
CN-113831296-B 1-phenyl-3- (4- (pyrimidine-5-ylamino) phenyl) prop-2-en-1-one compounds and uses thereof 北京理工大学 2023-07-21 CN disclosed
US-20230192626-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-06-22 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
CN-113831296-A 1-phenyl-3- (4- (pyrimidine-5-amino) phenyl) prop-2-ene-1-ketone compound and application thereof 北京理工大学 2021-12-24 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
EP-3484878-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS Bristol-Myers Squibb Company (US) 2019-05-22 EP disclosed
CN-109689647-A The compound that bicyclic heteroaryl replaces 百时美施贵宝公司 2019-04-26 CN disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
US-9127007-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2015-09-08 US disclosed
US-20140350043-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2014-11-27 US disclosed
US-5980584-A NONTOXIC; REPLACEMENT FOR P-AMINOPHENOL IN OXIDATIVE HAIR DYE SYSTEMS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-09 US disclosed
EP-0019811-A1 Pyrimidine compounds, process for their preparation, pharmaceutical compositions containing them and their therapeutical use CIBA-GEIGY AG (CH) 1980-12-10 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 (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-20140350043-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR ALDH1A1 2864/4885HSD17B10 963/4885KDM4E 2291/4885
US-20230192626-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF EPHX1, EPHX2, NCEH1 ALDH1A1 588/4885HSD17B10 275/4885KDM4E 1761/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 ALDH1A1 1618/4885HSD17B10 2283/4885KDM4E 1865/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ALDH1A1 1598/4885HSD17B10 2146/4885KDM4E 2420/4885

“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.