SCHEMBL3389333

SCHEMBL3389333

Cn1cnc2cc(Br)cnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.49
HSD17B10 Q99714 1/20 0.47
DYRK1A Q13627 4/20 0.38
HTT P42858 2/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32
EGFR P00533 2/20 0.31
KDM4E B2RXH2 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL17488207 0.78 NPC1 (0.42) HSD17B10HTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL10238681 0.77 GRM5 (0.50) GRM5HSD17B10DYRK1AKMT2ASMN1; SMN2
SCHEMBL22226940 0.76 HSD17B10 (0.41) HSD17B10DYRK1AALDH1A1MAPK1ADORA2A
SCHEMBL418650 0.75 GRM5 (0.49) GRM5DYRK1AALDH1A1MAPTADORA2A
SCHEMBL20698114 0.75 GRM5 (0.49) GRM5HSD17B10DYRK1AHTTKMT2A
SCHEMBL14142248 0.75 GRM5 (0.49) GRM5DYRK1AALDH1A1MAPTADORA2A
SCHEMBL323911 0.75 GRM5 (0.49) GRM5DYRK1AALDH1A1MAPTADORA2A
SCHEMBL114730 0.75 GRM5 (0.49) GRM5HSD17B10DYRK1ASMN1; SMN2ALDH1A1
SCHEMBL30050236 0.75 GRM5 (0.49) GRM5DYRK1AALDH1A1MAPTADORA2A
SCHEMBL323910 0.75 GRM5 (0.49) GRM5HSD17B10DYRK1AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658656-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEONE MEDICINES I GMBH (CH) 2025-11-13 US disclosed
US-20250282728-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR CEREVANCE INC (US) 2025-09-11 US disclosed
US-12319697-B2 Process for preparing imidazole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2025-06-03 US disclosed
EP-4514788-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR Cerevance, Inc. (US) 2025-03-05 EP disclosed
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-11-12 US disclosed
WO-2024160276-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 WO disclosed
CN-114736156-B Preparation method and application of sinomenine simplified derivative 中捷四方生物科技股份有限公司 2024-03-19 CN disclosed
WO-2023209368-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR Cerevance, Inc. (US) 2023-11-02 WO disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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 (8 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-12319697-B2 Process for preparing imidazole derivatives UQCRB, CYP3A4, H1-4 GRM5 3508/4885HSD17B10 4081/4885DYRK1A 3411/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 GRM5 4656/4885HSD17B10 1124/4885DYRK1A 4471/4885
US-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 GRM5 243/4885HSD17B10 818/4885DYRK1A 749/4885
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK GRM5 2199/4885HSD17B10 2178/4885DYRK1A 2128/4885
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS GRM5, GRIK5, GRM1 GRM5 1/4885HSD17B10 2789/4885DYRK1A 2272/4885
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES DGKG, DGKA, DGKK GRM5 4080/4885HSD17B10 2338/4885DYRK1A 1637/4885
US-20250282728-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR GPR55, GPR68, GPR65 GRM5 115/4885HSD17B10 1115/4885DYRK1A 2817/4885
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 GRM5 4624/4885HSD17B10 991/4885DYRK1A 4416/4885

“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.