SCHEMBL691794

SCHEMBL691794

N#Cc1cccc(F)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.43
MAP2K1 Q02750 1/20 0.39
BCAT1 P54687 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.38
EEF2K O00418 1/20 0.38
TRPV4 Q9HBA0 2/20 0.38
KHK P50053 1/20 0.37
MPO P05164 1/20 0.36
CHUK O15111 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HTR5A P47898 1/20 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
SCHEMBL2423501 0.83 TSHR (0.46) MAP2K1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17675409 0.77 TAAR1 (0.32) CUL4AHTR5A
SCHEMBL30443847 0.76 BCAT1 (0.49) CUL4ABCAT1TSHRTRPV4CA1
Water SCHEMBL28049227 0.76 BCAT1 (0.49) CUL4ABCAT1TSHRTRPV4CA1
SCHEMBL31172444 0.76 CYP3A4 (0.50) MAP2K1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL158537 0.76 BCAT1 (0.49) CUL4ABCAT1TSHRTRPV4CA1
SCHEMBL1161369 0.76 CYP3A4 (0.50) MAP2K1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30489137 0.75
SCHEMBL100446 0.75
SCHEMBL30349228 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026103730-A1 DIAZAHETEROCYCLIC DERIVATIVE OF PYRIDOARYL GROUP HAVING KAPPA RECEPTOR ANTAGONISTIC ACTIVITY AND COMPOSITION THEREOF, AND USE 江苏恩华药业股份有限公司 2026-05-21 WO disclosed
US-20250333429-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS INC (US) 2025-10-30 US disclosed
EP-4622981-A1 MODULATORS OF TNF-ALPHA ACTIVITY Forward Therapeutics, Inc. (US) 2025-10-01 EP disclosed
US-12384808-B2 Modulators of TNF-α activity FORWARD THERAPEUTICS, INC. (US) 2025-08-12 US disclosed
US-20250228869-A1 Benzodiazepine Pyrazolo Carboxamides as N-protein Inhibitors PFIZER INC. (US) 2025-07-17 US disclosed
US-20250171447-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF MERCK SHARP & DOHME LLC (US) 2025-05-29 US disclosed
US-12297209-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2025-05-13 US disclosed
CN-119948023-A Regulator containing piperidine polycyclic derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-06 CN disclosed
US-12268694-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2025-04-08 US disclosed
US-12263171-B2 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2025-04-01 US disclosed
US-6617326-B2 For therapy and prophylaxis of adverse conditions of the central nervous system, including anxiety and convulsions MERCK SHARP & DOHME LTD. 2003-09-09 US disclosed
US-20030055060-A1 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2003-03-20 US disclosed
WO-2003008418-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-01-30 WO disclosed
WO-2003006464-A1 (1,8) NAPHTHYRIDINES AS GABA LIGANDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES MERCK SHARP & DOHME LIMITED (GB) 2003-01-23 WO disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002074772-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 WO disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 WO disclosed
WO-2002038568-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-16 WO disclosed
US-6172078-B1 PREVENTING WORSENING OF CEREBRAL STROKE; ANTIISCHEMIC AGENTS; BRAIN DISORDERS TORAY INDUSTRIES, INC. (JP) 2001-01-09 US disclosed
EP-0911334-A1 QUINOLINOMORPHINANE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1999-04-28 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 (9 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 CUL4A 328/4885MAP2K1 1459/4885BCAT1 193/4885
US-20250171447-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF ADORA2A, ADORA2B, ADORA1 CUL4A 4364/4885MAP2K1 3557/4885BCAT1 3220/4885
US-12297209-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 CUL4A 951/4885MAP2K1 4681/4885BCAT1 1188/4885
US-12384808-B2 Modulators of TNF-α activity TNF, NFKBIA, TNFRSF1A CUL4A 2579/4885MAP2K1 3544/4885BCAT1 3351/4885
US-12268694-B2 Combination pharmaceutical agents as RSV inhibitors ACE, ACE2, SPCS3 CUL4A 689/4885MAP2K1 2224/4885BCAT1 3664/4885
US-20250228869-A1 Benzodiazepine Pyrazolo Carboxamides as N-protein Inhibitors GABRP, GABRA5, GABRA2 CUL4A 879/4885MAP2K1 4107/4885BCAT1 924/4885
US-20250333429-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, NFKBIA, TNFRSF1A CUL4A 2992/4885MAP2K1 3559/4885BCAT1 3200/4885
US-12263171-B2 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 CUL4A 3874/4885MAP2K1 2586/4885BCAT1 3438/4885
US-20030055060-A1 Imidazo-triazine derivatives as ligands for GABA receptors GABRA2, GABRA1, GABRA3 CUL4A 247/4885MAP2K1 3556/4885BCAT1 372/4885

“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.