SCHEMBL3474098

SCHEMBL3474098

CNc1cc(C)nc(Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.56
NOS2 P35228 1/20 0.56
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 3/20 0.46
ALOX15 P16050 1/20 0.46
POLB P06746 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
ALDH1A1 P00352 4/20 0.43
ESR1 P03372 1/20 0.39
HTT P42858 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NUDT1 P36639 2/20 0.34

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
SCHEMBL21062839 0.80 GAA (0.46) NOS3NOS2KMT2AMEN1MAPT
SCHEMBL2240889 0.79 NOS3 (0.41) NOS3NOS2KMT2AMEN1MAPT
SCHEMBL8893556 0.77 NOS3 (0.61) NOS3NOS2KMT2AMEN1MAPT
SCHEMBL390428 0.77
SCHEMBL20476318 0.77 ALDH1A1 (0.51) KMT2AMEN1MAPTPOLBCACNA1B
SCHEMBL20476323 0.77 MAPT (0.50) KMT2AMEN1MAPTPOLBCACNA1B
SCHEMBL4915813 0.76 NOS3 (0.60) NOS3NOS2MAPTALOX15POLB
SCHEMBL15881004 0.75 MEN1 (0.44) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL12499637 0.74 NOS3 (0.58) NOS3NOS2MAPTALOX15POLB
SCHEMBL30166627 0.74 NOS3 (0.43) NOS3NOS2KMT2AMEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232448-B1 AGONISTS OF FREE FATTY ACID RECEPTOR 1 AND THEIR USE IN DISEASES ASSOCIATED WITH SAID RECEPTOR Halo Therapeutics Ltd (GB) 2025-05-07 EP disclosed
EP-3956323-B1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 Halo Therapeutics Ltd (GB) 2025-03-05 EP disclosed
US-20240368139-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2024-11-07 US disclosed
CN-118647610-A Novel modulators of EHMT1 and EHMT2 and therapeutic uses thereof 探戈医药股份有限公司 2024-09-13 CN disclosed
EP-4416143-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-08-21 EP disclosed
US-20240158382-A1 Agonists Of Free Fatty Acid Receptor 1 And Their Use In Diseases Associated With Said Receptor Halo Therapeutics Ltd (GB) 2024-05-16 US disclosed
EP-4285906-A2 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme Inc (US) 2023-12-06 EP disclosed
CN-116745289-A Agonists of free fatty acid receptor 1 and their use in diseases associated with said receptor 奥洛治疗有限公司 2023-09-12 CN disclosed
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed
EP-2240025-A1 NOVEL sEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-10-20 EP disclosed
WO-2009097475-A1 NOVEL sEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 WO disclosed
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN disclosed
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed
US-4871387-A Pyri(mi)dyl-oxy-and -thio-benzoic acid derivatives useful as herbicides and plant growth regulants BAYER AKTIENGESELLSCHAFT (DE) 1989-10-03 US disclosed
EP-0226837-A2 Pyri(mi)dyloxy and -thiobenzoic acid derivatives BAYER AG (DE) 1987-07-01 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 (3 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-20240158382-A1 Agonists Of Free Fatty Acid Receptor 1 And Their Use In Diseases Associated With Said Receptor FFAR1, FFAR2, FFAR3 NOS3 1780/4885NOS2 1992/4885KMT2A 3043/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 NOS3 1546/4885NOS2 1329/4885KMT2A 693/4885
US-20240368139-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF EHMT1, EHMT2, SHMT1 NOS3 3012/4885NOS2 2067/4885KMT2A 33/4885

“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.