SCHEMBL3453722

SCHEMBL3453722

NC(=O)c1ccc(C(F)(F)F)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.43
P2RX7 Q99572 1/20 0.39
PARP1 P09874 1/20 0.39
JAK2 O60674 1/20 0.39
LMNA P02545 3/20 0.38
XBP1 P17861 2/20 0.38
SMO Q99835 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38

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
SCHEMBL30489817 1.00 CASP1 (0.43) CASP1P2RX7PARP1JAK2LMNA
SCHEMBL3663477 0.84 SMO (0.39) P2RX7LMNASMOTUBB4ATUBB
SCHEMBL30586206 0.84 KEAP1 (0.46) LMNASMOTUBB4ATUBBTUBA3C
SCHEMBL165279 0.84 KEAP1 (0.46) LMNASMOTUBB4ATUBBTUBA3C
SCHEMBL30489829 0.84 SMO (0.39) P2RX7LMNASMOTUBB4ATUBB
Hydrochloric Acid SCHEMBL23500735 0.82 KEAP1 (0.44) LMNASMOTUBB4ATUBBTUBA3C
SCHEMBL19616100 0.82 TUBB4A (0.41) LMNASMOTUBB4ATUBBTUBA3C
SCHEMBL17268296 0.82 NNMT (0.41) CASP1PARP1KMT2AATMGAA
SCHEMBL4191868 0.80 IKBKB (0.42) CASP1P2RX7PARP1JAK2LMNA
SCHEMBL3633773 0.80 P2RX7 (0.40) CASP1P2RX7PARP1JAK2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101959863-A Process for production of 3-amino-2-chloro-6- trifluoromethylpyridine ISHIHARA SANGYO KAISHA 2011-01-26 CN claimed
EP-2251329-A1 PROCESS FOR PRODUCTION OF 3-AMINO-2-CHLORO-6- TRIFLUOROMETHYLPYRIDINE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-11-17 EP claimed
WO-2026103888-A1 PYRIMIDIN-2(1H)-ONE DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 上海青润医药科技有限公司 2026-05-21 WO disclosed
CN-122036626-A Pyrimidine-2 (1H) -ketone derivative, pharmaceutical composition and application thereof 上海青润医药科技有限公司 2026-05-15 CN disclosed
US-12503467-B2 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors IDEAYA BIOSCIENCES, INC. (US) 2025-12-23 US disclosed
CN-119528824-A 2-Oxo quinazoline derivatives as methionine adenosyltransferase 2A inhibitors 伊迪亚生物科学有限公司 2025-02-28 CN disclosed
US-20250042890-A1 METHIONINE ADENOSYLTRANSFERASE 2a (MAT2A) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2025-02-06 US disclosed
CN-113166078-B 2-Oxo quinazoline derivatives as methionine adenosyltransferase 2A inhibitors 伊迪亚生物科学有限公司 2024-11-19 CN disclosed
EP-4419506-A1 METHIONINE ADENOSYLTRANSFERASE 2A (MAT2A) INHIBITORS AND USES THEREOF Insilico Medicine IP Limited (HK) 2024-08-28 EP disclosed
CN-118434722-A Methionine adenosyltransferase 2A (MAT 2A) inhibitors and uses thereof 英矽智能科技知识产权有限公司 2024-08-02 CN disclosed
CN-118265700-A Substituted naphthyridinone derivative, pharmaceutical composition and application thereof 上海海雁医药科技有限公司 2024-06-28 CN disclosed
WO-2009110475-A1 PROCESS FOR PRODUCTION OF 3-AMINO-2-CHLORO-6- TRIFLUOROMETHYLPYRIDINE 石原産業株式会社 (JP) 2009-09-11 WO disclosed
CN-101265228-A Method for preparing 2-chloro-3-trichloromethyl-6-trifluoromethylpyridine SHANGHAI RECORD PHARMACEUTICAL (CN) 2008-09-17 CN disclosed
CN-101265228-A Method for preparing 2-chloro-3-trichloromethyl-6-trifluoromethylpyridine SHANGHAI RECORD PHARMACEUTICAL (CN) 2008-09-17 CN disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
EP-1753429-A1 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-02-21 EP disclosed
CN-1882568-A Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-12-20 CN disclosed
US-20060019962-A1 substituted piperazine compounds that are useful modulators of muscarinic receptors; 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(3-nitro-2-pyridyl)-piperazine; treatment of COPD, asthma, urinary incontinence, glaucoma, Alzheimer's (AchE inhibitors), and pain VERTEX PHARMACEUTICALS INCORPORATED 2006-01-26 US disclosed
WO-2005117883-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-12-15 WO disclosed
WO-2005117883-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-12-15 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 (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-20250042890-A1 METHIONINE ADENOSYLTRANSFERASE 2a (MAT2A) INHIBITORS AND USES THEREOF MAT2A, MAT2B, MAT1A CASP1 4630/4885P2RX7 4178/4885PARP1 2986/4885
US-20060019962-A1 substituted piperazine compounds that are useful modulators of muscarinic receptors; 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(3-nitro-2-pyridyl)-piperazine; treatment of COPD, asthma, urinary incontinence, glaucoma, Alzheimer's (AchE inhibitors), and pain ACHE, CHRM5, CHRM3 CASP1 4330/4885P2RX7 163/4885PARP1 2655/4885
US-12503467-B2 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors MAT2B, MAT2A, MAT1A CASP1 4328/4885P2RX7 3304/4885PARP1 536/4885

“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.