SCHEMBL662965

SCHEMBL662965

O=C(Cl)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.56
KCNQ3 O43525 2/20 0.54
KCNQ2 O43526 2/20 0.54
KCNE1 P15382 2/20 0.54
KCNQ1 P51787 2/20 0.54
KDM1A O60341 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 1/20 0.41
NOTUM Q6P988 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
HDAC1 Q13547 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
GPR183 P32249 1/20 0.37

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
SCHEMBL30308280 1.00 KIF11 (0.56) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL759728 0.85 KCNQ3 (0.54) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL31542017 0.84 NOTUM (0.42) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2680326 0.84 NOTUM (0.42) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL850429 0.82 KIF11 (0.57) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29620952 0.82 KIF11 (0.57) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL8151708 0.81 CES2 (0.47) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL10532934 0.81 KMO (0.43) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL20560270 0.81 KIF11 (0.50) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL1031838 0.81 KIF11 (0.56) KIF11KCNQ3KCNQ2KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
CN-116535358-A Benzamide derivative with sulfur-containing cyano pyrazole structure, preparation method and application thereof 西北农林科技大学 2023-08-04 CN disclosed
EP-4161916-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2023-04-12 EP disclosed
WO-2023288253-A1 SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (CGAS) THE SCRIPPS RESEARCH INSTITUTE (US) 2023-01-19 WO disclosed
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
WO-2021250461-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-12-16 WO disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 CN disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-10781180-B2 3-phenyl-pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
WO-2006114402-A1 SUBSTITUTED OCTAHYDROISOINDOLES AS ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR 1 (MCH1R) BIOVITRUM AB (PUBL) (SE) 2006-11-02 WO disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
WO-2006028904-A9 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2006-06-22 WO disclosed
WO-2006055734-A2 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-05-26 WO disclosed
WO-2006028904-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-16 WO disclosed
EP-1599202-A1 TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-11-30 EP disclosed
US-20050143398-A1 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 US disclosed
WO-2005042537-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-12 WO disclosed
CN-1538960-A Amino-2, 3-naphthyridinone derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them 2004-10-20 CN disclosed
WO-2004071507-A1 TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-08-26 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 (6 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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF KIF11 4307/4885KCNQ3 3494/4885KCNQ2 3321/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG KIF11 185/4885KCNQ3 968/4885KCNQ2 448/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 KIF11 2691/4885KCNQ3 10/4885KCNQ2 2/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG KIF11 185/4885KCNQ3 968/4885KCNQ2 448/4885
US-20050143398-A1 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors MAP4K2, MAP3K19, MAP3K1 KIF11 1397/4885KCNQ3 982/4885KCNQ2 870/4885
US-10781180-B2 3-phenyl-pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto HTR5A, HTR3A, HTR2A KIF11 4401/4885KCNQ3 611/4885KCNQ2 684/4885

“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.