SCHEMBL4812657

SCHEMBL4812657

Cc1c(F)ccc(F)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 2/20 0.39
TNF P01375 1/20 0.38
RIPK1 Q13546 1/20 0.38
ACHE P22303 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
LMNA P02545 1/20 0.32
CYP2A6 P11509 1/20 0.32
DAO P14920 2/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31

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
SCHEMBL13905953 0.86 ACHE (0.38) HTR2AHTR2CHTR2BTNFRIPK1
SCHEMBL7550352 0.83 ALDH1A1 (0.36) HTR2AHTR2CHTR2BTNFRIPK1
SCHEMBL8249627 0.83 ACHE (0.36) HTR2AHTR2CHTR2BTNFRIPK1
SCHEMBL29620412 0.83 ALDH1A1 (0.36) HTR2AHTR2CHTR2BTNFRIPK1
SCHEMBL180373 0.83 HTR2A (0.36) HTR2AHTR2CHTR2BTNFRIPK1
SCHEMBL31567045 0.79 TNF (0.33) HTR2AHTR2CHTR2BTNFRIPK1
SCHEMBL9293416 0.79 CYP3A4 (0.38) HTR2AHTR2CHTR2B
SCHEMBL21996002 0.79 TNF (0.33) HTR2AHTR2CHTR2BTNFRIPK1
SCHEMBL31697168 0.79 TRPA1 (0.41) TNFRIPK1LMNADAO
SCHEMBL15611127 0.79 TRPA1 (0.41) TNFRIPK1LMNADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US claimed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP claimed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO claimed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US claimed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
EP-3889156-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2021-10-06 EP disclosed
US-11066402-B2 3,5-disubstituted-3H-imidazo[4,5-b]pyridine and 3,5-disubstituted-3H-[1,2,3]triazolo[4,5-B] pyridine compounds as modulators of c-Met protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2021-07-20 US disclosed
EP-2831073-B1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES RHIZEN PHARMACEUTICALS S A (CH) 2020-12-09 EP disclosed
WO-2020108659-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海医药集团股份有限公司 2020-06-04 WO disclosed
WO-2020023792-A1 COMBINATION THERAPY FOR NICOTINE ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2020-01-30 WO disclosed
WO-2019079209-A1 COMBINATION THERAPY FOR PREVENTING ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2019-04-25 WO disclosed
US-10207985-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 US disclosed
US-20080274304-A1 Functionalized Photoreactive Compounds ROLIC AG (CH) 2008-11-06 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO disclosed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US disclosed
US-4879423-A 2-CHLORO-3,6-DIFLUOROBENZYL 3-(2-CHLORO-3,3,3-TRIFLUOROPROP-1-EN-1-YL) -2,2-DIMETHYLCYCLOPROPANECARBOXYLATE, INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-07 US disclosed
US-4778822-A SOIL ROOT WORM CONTROL WITH 2-CHLORO-3,6-DIFLUOROBENZYL 3-(2-CHLORO-3,3,3-TRIFLUOROPROP-1-EN-1-YL) -2,2-DIMETHYLCYCLOPROPANE CARBOXYLATE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-18 US 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 (4 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 HTR2A 3274/4885HTR2C 2616/4885HTR2B 1931/4885
US-20080274304-A1 Functionalized Photoreactive Compounds PCNA, PIN1, MAP1LC3C HTR2A 2854/4885HTR2C 1349/4885HTR2B 1139/4885
US-11066402-B2 3,5-disubstituted-3H-imidazo[4,5-b]pyridine and 3,5-disubstituted-3H-[1,2,3]triazolo[4,5-B] pyridine compounds as modulators of c-Met protein kinases MET, PRKCH, HGFAC HTR2A 1434/4885HTR2C 981/4885HTR2B 1693/4885
US-10207985-B2 Compounds CYP1B1, DDT, CYP1A1 HTR2A 3550/4885HTR2C 1645/4885HTR2B 2198/4885

“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.