SCHEMBL577680

SCHEMBL577680

NC(=O)c1nc(C(F)(F)F)cs1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
SCN9A Q15858 1/20 0.39
P2RX7 Q99572 1/20 0.38
CDK8 P49336 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
FFAR2 O15552 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.34
CTSK P43235 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CBLB Q13191 1/20 0.33
CHKA P35790 1/20 0.32
GRM5 P41594 1/20 0.32
JAK2 O60674 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HDAC4 P56524 1/20 0.32
MEF2D Q14814 1/20 0.32

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
SCHEMBL312511 0.82 FABP4 (0.36) FFAR2IRAK4CTSKKMT2AMEN1
SCHEMBL9928614 0.81 ALDH1A1 (0.38) CDK8CDK19FFAR2IRAK4CTSK
SCHEMBL578067 0.81 FFAR2 (0.38) P2RX7FFAR2IRAK4CTSKKMT2A
SCHEMBL578153 0.81 C1S (0.33) FFAR2IRAK4CTSKKMT2AMEN1
SCHEMBL2677290 0.81 ATAD2 (0.43) KMT2AMEN1ALDH1A1
Acetic Acid SCHEMBL15573175 0.80 MEN1 (0.35) CDK8CDK19FFAR2IRAK4CTSK
SCHEMBL22014915 0.79 CYP3A4 (0.33) CYP3A4CYP2D6CYP2C9SCN9AIRAK4
Hydrochloric Acid SCHEMBL578561 0.79 C1S (0.33) IRAK4KMT2AMEN1
SCHEMBL21301104 0.77 HSP90AA1 (0.30)
SCHEMBL9927079 0.77 CTSK (0.44) FFAR2IRAK4CTSKKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180185-B2 Compound as protein kinase inhibitor, and pharmaceutical composition comprising thereof HK INNO.N CORPORATION (KR) 2024-12-31 US claimed
EP-2379537-B9 Isoxazoline derivatives and their use as pesticide NOVARTIS AG (CH) 2017-07-12 EP claimed
US-9044389-B2 Isoxazoline derivatives as pesticides NOVARTIS TIERGESUNDHEIT AG (CH) 2015-06-02 US claimed
EP-1858854-B1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-05-07 EP claimed
US-20140120147-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES NOVARTIS AG (CH) 2014-05-01 US claimed
US-8653116-B2 Isoxazoline derivatives as pesticides NOVARTIS AG (CH) 2014-02-18 US claimed
EP-2155720-B1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2013-07-17 EP claimed
US-20130131053-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES NOVARTIS TIERGESUNDHEIT AG (CH) 2013-05-23 US claimed
US-8383659-B2 Isoxazoline derivatives as pesticides NOVARTIS AG (CH) 2013-02-26 US claimed
EP-2379537-B1 Isoxazoline derivatives and their use as pesticide NOVARTIS AG (CH) 2012-10-31 EP claimed
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
US-7414060-B2 Pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
EP-1858854-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP claimed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US claimed
WO-2006094639-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO claimed
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders HOFFMANN-LA ROCHE INC. 2006-09-07 US claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed

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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 CYP3A4 2309/4885CYP2D6 2816/4885CYP2C9 2618/4885
US-20130131053-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES CYP3A7, ACHE, CYP4X1 CYP3A4 33/4885CYP2D6 125/4885CYP2C9 7/4885
US-20140120147-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES CYP3A7, ACHE, CYP4X1 CYP3A4 33/4885CYP2D6 125/4885CYP2C9 7/4885
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives GRM2, GRM1, GRM3 CYP3A4 2111/4885CYP2D6 2466/4885CYP2C9 2802/4885
US-12180185-B2 Compound as protein kinase inhibitor, and pharmaceutical composition comprising thereof MAP3K20, MAP3K1, MAP3K15 CYP3A4 3519/4885CYP2D6 3728/4885CYP2C9 3066/4885
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders GRM3, GRM2, GRM1 CYP3A4 1098/4885CYP2D6 476/4885CYP2C9 850/4885

“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.