SCHEMBL75623

SCHEMBL75623

CSc1nc(Cl)c(C)c(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
HSP90AB1 P08238 1/20 0.41
KMT2A Q03164 6/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
ABCB1 P08183 1/20 0.35
HTT P42858 5/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 4/20 0.33
MAPK1 P28482 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HSP90AA1 P07900 2/20 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
SCHEMBL12712135 0.87 KMT2A (0.38) PDE10AHSP90AB1KMT2ACYP1A2CYP2C19
SCHEMBL6034037 0.84 ABCB1 (0.46) PDE10AHSP90AB1KMT2ACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL11429110 0.82 ABCB1 (0.44) PDE10AHSP90AB1KMT2ACYP1A2CYP2C19
SCHEMBL77128 0.80 HTT (0.45) HSP90AB1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL22574603 0.80 KMT2A (0.38) HSP90AB1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL25247269 0.79 CYP1A2 (0.40) HSP90AB1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL30954187 0.79 CYP1A2 (0.40) HSP90AB1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL31168241 0.79 CYP1A2 (0.33) HSP90AB1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL30954186 0.79 CYP1A2 (0.40) HSP90AB1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL28960187 0.78 KMT2A (0.37) HSP90AB1KMT2ACYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558310-B1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-01-17 EP disclosed
EP-4299576-A1 [1,2,4]-TRIAZOLO[A]PYRIMIDINE DERIVATIVES AS THERMALLY ACTIVATED DELAYED FLUORESCENCE (TADF) EMITTERS AND PROCESS OF PREPARATION THEREOF Vilnius University (LT) 2024-01-03 EP disclosed
WO-2023099624-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-08 WO disclosed
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed
EP-3558310-A1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2019-10-30 EP disclosed
US-20190315708-A1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-10-17 US disclosed
WO-2018118734-A1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
US-9303023-B2 Pyrazole and imidazole derivatives useful as orexin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-04-05 US disclosed
EP-2675801-B1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-04-08 EP disclosed
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 US disclosed
US-20070179125-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070142368-A1 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. 2007-06-21 US disclosed
EP-1685124-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2006-08-02 EP disclosed
US-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain HOLLINGWORTH GREGORY J (GB) 2005-09-08 US disclosed
WO-2005047279-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 WO disclosed
EP-0976753-B1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-01-02 EP disclosed
US-6222035-B1 AS ADENOSINE A.SUB.2A RECEPTOR ANTAGONISTS AND ARE USEFUL FOR THERAPY OR OR PROPHYLAXIS OF VARIOUS DISEASES INDUCED BY HYPERACTIVITY OF ADENOSINE A.SUB.2A RECEPTORS SUCH AS PARKINSON'S DISEASE, SENILE DEMENTIA OR DEPRESSION KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-24 US disclosed
EP-0976753-A1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-02-02 EP disclosed
US-4199583-A 4-AMINO-6-HALO-2-METHYLTHIO-, METHOXY-, METHYLSULFINYL- OR METHYLSULFONYL-PYRIMIDINES THE UPJOHN COMPANY (US) 1980-04-22 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 (6 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-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain OPRL1, OPRK1, CNR1 PDE10A 1985/4885HSP90AB1 2238/4885KMT2A 3348/4885
US-20070179125-A1 Aminopyrimidines useful as kinase inhibitors ABL1, MAP3K5, MAP3K20 PDE10A 2061/4885HSP90AB1 2171/4885KMT2A 884/4885
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM2, CHRM5 PDE10A 2320/4885HSP90AB1 4526/4885KMT2A 463/4885
US-20070142368-A1 Substituted pyrazole compounds AURKC, AURKA, AURKB PDE10A 3588/4885HSP90AB1 861/4885KMT2A 1079/4885
US-20190315708-A1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM2, CHRM5 PDE10A 2320/4885HSP90AB1 4526/4885KMT2A 463/4885
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 PDE10A 2020/4885HSP90AB1 2228/4885KMT2A 913/4885

“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.