SCHEMBL37949

SCHEMBL37949

[C]1CNCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.41
PNMT P11086 1/20 0.41
MAOB P27338 1/20 0.41
OXTR P30559 1/20 0.38
HTR2C P28335 1/20 0.36
RYR2 Q92736 1/20 0.35
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5370093 0.78 HTR2C (0.54) CD44PNMTMAOBHTR2CHTR2A
Ethyne SCHEMBL20577213 0.69 PNMT (0.59) CD44PNMTMAOBOXTRHTR2C
SCHEMBL29351494 0.68
SCHEMBL10612 0.68
SCHEMBL13590042 0.68 PNMT (0.65) CD44PNMTMAOBOXTRHTR2C
SCHEMBL2144679 0.67
SCHEMBL9630603 0.67
SCHEMBL2746647 0.67
SCHEMBL21726 0.67
Methane SCHEMBL11147358 0.66 PNMT (0.62) CD44PNMTMAOBOXTRHTR2C

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 1357 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232437-A1 PRODRUGS FOR SUSTAINED RELEASING THERAPEUTIC AGENTS AND USES THEREOF Liangjiang Medicine Co., Ltd. (CN) 2023-08-30 EP claimed
EP-3994136-A1 PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BeiGene, Ltd. (KY) 2022-05-11 EP claimed
WO-2022083679-A1 PRODRUGS FOR SUSTAINED RELEASING THERAPEUTIC AGENTS AND USES THEREOF LIANGJIANG MEDICINE CO., LTD. (CN) 2022-04-28 WO claimed
EP-3953356-A1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2022-02-16 EP claimed
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 WO claimed
WO-2020207991-A1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-10-15 WO claimed
US-20200109167-A1 SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2020-04-09 US claimed
EP-3601245-A1 SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2020-02-05 EP claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
WO-2018183411-A1 SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-10-04 WO claimed
WO-1999018073-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-04-15 WO claimed
WO-1999010347-A1 SUBSTITUTED 4-OXO-NAPTHYRIDINE-3-CARBOXAMIDES AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-03-04 WO claimed
WO-1999006410-A1 HYDROXAMIC ACID SUBSTITUTED FUSED HETEROCYCLIC METALLOPROTEINASE INHIBITORS AMGEN INC. (US) 1999-02-11 WO claimed
EP-0724446-A4 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES DU PONT MERCK PHARMA (US) 1998-01-07 EP claimed
EP-0801654-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1997-10-22 EP claimed
EP-0724446-A1 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-07 EP claimed
EP-0722449-A1 BOROPEPTIDE INHIBITORS OF THROMBIN WHICH CONTAIN A SUBSTITUTED PYRROLIDINE RING THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-24 EP claimed
WO-1995009634-A1 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-13 WO claimed
WO-1995009858-A1 DIPEPTIDE BORONIC ACID INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-13 WO claimed
WO-1995009859-A1 BOROPEPTIDE INHIBITORS OF THROMBIN WHICH CONTAIN A SUBSTITUTED PYRROLIDINE RING THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-13 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20200109167-A1 SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME DCUN1D2, CLN6, CAPNS1 CD44 4487/4885PNMT 3488/4885MAOB 1366/4885

“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.