SCHEMBL773131

SCHEMBL773131

FC(F)(F)c1ccccc1-c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.49
TYRO3 Q06418 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
MTOR P42345 1/20 0.48
ADK P55263 1/20 0.48
NISCH Q9Y2I1 1/20 0.48
NPY5R Q15761 1/20 0.44
HSD11B1 P28845 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 1/20 0.42
SCN9A Q15858 2/20 0.41

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
SCHEMBL29360220 1.00 CSNK1A1 (0.49) CSNK1A1TYRO3DYRK1BTAAR1MTOR
SCHEMBL7235096 0.85 TAAR1 (0.49) CSNK1A1TYRO3DYRK1BTAAR1MTOR
SCHEMBL6002865 0.82 CSNK1A1 (0.49) CSNK1A1TYRO3DYRK1BTAAR1MTOR
SCHEMBL9287236 0.80 NISCH (0.64) CSNK1A1TYRO3DYRK1BTAAR1MTOR
SCHEMBL27838439 0.79 TRPA1 (0.43) TAAR1MTORADKNISCHTRPA1
SCHEMBL14886257 0.78 NISCH (0.61) CSNK1A1TYRO3DYRK1BTAAR1MTOR
SCHEMBL9377527 0.78 NISCH (0.50) CSNK1A1TYRO3DYRK1BTAAR1MTOR
SCHEMBL8536119 0.77 TAAR1 (0.47) TAAR1MTORADKNISCHALDH1A1
SCHEMBL1289114 0.76 NISCH (0.53) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL29985833 0.76 NISCH (0.53) CSNK1A1TYRO3DYRK1BMTORADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290450-A Europium-aluminum-containing lithium adsorbent precursor and preparation method thereof 万华化学集团股份有限公司 2024-07-05 CN claimed
WO-2005046660-A1 MODULATING SUBSTANCES OF THE NITRIC OXID (NO) - CYCLIC GUANOSINE - 3’,5’- MONOPHOSPHATE (cGMP) SIGNALING PATHWAY FOR THE TREATMENT OF DENTAL DISORDERS CELL CENTER COLOGNE GMBH (DE) 2005-05-26 WO claimed
EP-1280526-A1 COMPOSITION FOR THE PREVENTION AND/OR TREATMENT, IN NEWBORN BABIES, OF THE EFFECTS OF COMPLICATIONS DURING CHILDBIRTH Universitair Medisch Centrum Utrecht (NL) 2003-02-05 EP claimed
JP-2002541077-A 2002-12-03 JP claimed
US-20020156129-A1 Method of treating pruritus and a pharmaceutical composition for the method IKEDA MOHANDO CO., LTD. (JP) 2002-10-24 US claimed
EP-1233786-A2 PRODUCT COMPRISING AT LEAST A NO SYNTHASE INHIBITING SUBSTANCE ASSOCIATED WITH AT LEAST A PHOSPHOLIPASE A2 INHIBITING SUBSTANCE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-28 EP claimed
EP-1169005-A2 ASSOCIATION OF NO-SYNTHASE INHIBITOR(S) AND METABOLIC ANTIOXIDANT(S) SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-09 EP claimed
WO-2001074351-A1 COMPOSITION FOR THE PREVENTION AND/OR TREATMENT, IN NEWBORN BABIES, OF THE EFFECTS OF COMPLICATIONS DURING CHILDBIRTH UNIVERSITAIR MEDISCH CENTRUM (NL) 2001-10-11 WO claimed
WO-2001032216-A2 PRODUCT COMPRISING AT LEAST A NO SYNTHASE INHIBITING SUBSTANCE ASSOCIATED WITH AT LEAST A PHOSPHOLIPASE A2 INHIBITING SUBSTANCE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-10 WO claimed
WO-2000059448-A2 ASSOCIATION OF NO-SYNTHASE INHIBITOR(S) AND METABOLIC ANTIOXIDANT(S) SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-10-12 WO claimed
EP-0939654-A1 ASSOCIATION OF NO SYNTASE INHIBITORS WITH TRAPPERS OF OXYGEN REACTIVE FORMS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-09-08 EP claimed
WO-1998009653-A1 ASSOCIATION OF NO SYNTASE INHIBITORS WITH TRAPPERS OF OXYGEN REACTIVE FORMS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-03-12 WO claimed
US-20250188072-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2025-06-12 US disclosed
US-12187720-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2025-01-07 US disclosed
CN-118290450-A Europium-aluminum-containing lithium adsorbent precursor and preparation method thereof 万华化学集团股份有限公司 2024-07-05 CN disclosed
WO-2023279162-A1 METHODS OF TREATMENT AND INHIBITION UNIVERSITY OF CANBERRA (AU) 2023-01-12 WO disclosed
WO-2000059448-A2 ASSOCIATION OF NO-SYNTHASE INHIBITOR(S) AND METABOLIC ANTIOXIDANT(S) SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-10-12 WO disclosed
EP-0939654-A1 ASSOCIATION OF NO SYNTASE INHIBITORS WITH TRAPPERS OF OXYGEN REACTIVE FORMS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-09-08 EP disclosed
WO-1998009653-A1 ASSOCIATION OF NO SYNTASE INHIBITORS WITH TRAPPERS OF OXYGEN REACTIVE FORMS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-03-12 WO disclosed
EP-0251014-A2 2-Trifluoromethyl benzimidazoles BAYER AG (DE) 1988-01-07 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 (2 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-12187720-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 CSNK1A1 2313/4885TYRO3 3028/4885DYRK1B 4348/4885
US-20250188072-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 CSNK1A1 2313/4885TYRO3 3028/4885DYRK1B 4348/4885

“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.