SCHEMBL1850583

SCHEMBL1850583

O=S(=O)(Nc1ccc(F)c(-c2n[nH]cc2Br)c1F)c1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 3/20 0.43
BRAF P15056 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.42
SGK1 O00141 1/20 0.41
CYP1A2 P05177 1/20 0.41
ACLY P53396 2/20 0.39
AXL P30530 1/20 0.38
KIT P10721 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
ERN1 O75460 1/20 0.36
THRB P10828 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36

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
SCHEMBL1847624 0.82 CYP2C9 (0.42) CYP2C9CYP2C19CYP3A4BRAFSGK1
SCHEMBL1852286 0.79 CYP2C9 (0.42) CYP2C9CYP2C19CYP3A4BRAFCYP1A2
SCHEMBL1845402 0.78 ERN1 (0.42) CYP2C9CYP2C19CYP3A4BRAFPTGES2
SCHEMBL1848442 0.78 BRAF (0.53) CYP2C9CYP3A4BRAFSGK1
SCHEMBL1848383 0.77 CYP2C9 (0.44) CYP2C9CYP2C19CYP3A4BRAFAXL
SCHEMBL12482761 0.76 BRAF (0.43) CYP2C9CYP2C19CYP3A4BRAFPTGES2
SCHEMBL1847659 0.75 PIK3C3 (0.44) CYP2C9CYP2C19CYP3A4BRAFAXL
SCHEMBL1848361 0.74 PIK3C3 (0.57) BRAF
SCHEMBL1848155 0.74 BRAF (0.55) CYP2C9CYP2C19CYP3A4BRAF
SCHEMBL1848763 0.74 CYP2C9 (0.38) CYP2C9CYP2C19CYP3A4BRAFPTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946250-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-02-03 US disclosed
US-20140005150-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-01-02 US disclosed
US-8541575-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-24 US disclosed
EP-2324008-B1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-05-09 EP disclosed
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-16 US disclosed
EP-2324008-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-25 EP disclosed
WO-2010010154-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-28 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 (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-20140005150-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 CYP2C9 1857/4885CYP2C19 1149/4885CYP3A4 1358/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 CYP2C9 1857/4885CYP2C19 1149/4885CYP3A4 1358/4885

“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.