SCHEMBL12445752

SCHEMBL12445752

Nc1nc(Br)c(F)c(CC(=O)O)c1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
CYP1A2 P05177 1/20 0.37
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL12445758 0.87 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP1A2
SCHEMBL12445755 0.81 CYP1A2 (0.39) CYP1A2GABRA5GABRB2HSD17B10
SCHEMBL12445756 0.76 CYP1A2 (0.35) CYP1A2GABRA5GABRB2HSD17B10
SCHEMBL15948192 0.71 AKR1B1 (0.42) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP1A2
SCHEMBL27762098 0.70 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL11268242 0.70 CYP1A2 (0.37) CYP1A2GABRA5GABRB2HSD17B10
SCHEMBL12445751 0.70 CYP1A2 (0.37) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP1A2
SCHEMBL503968 0.69 AKR1B1 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP1A2
SCHEMBL12445759 0.68 CSNK2A2 (0.38) CSNK2A2CSNK2BCSNK2A1CSNK2A3GABRA5
SCHEMBL12445754 0.68 GABRA5 (0.40) CYP1A2GABRA5GABRB2HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531498-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2016-07-13 EP disclosed
US-9181238-B2 N-(pyridin-2-yl)sulfonamides and compositions thereof as protein kinase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
US-20130143899-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG 2013-06-06 US disclosed
WO-2011097526-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-11 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 (1 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-20130143899-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS RAF1, BRAF, ARAF CSNK2A2 231/4885CSNK2B 265/4885CSNK2A1 189/4885

“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.