SCHEMBL1845402

SCHEMBL1845402

Cn1cc(Br)c(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.41
BRAF P15056 3/20 0.41
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 2/20 0.40
ACLY P53396 2/20 0.40
CYP3A4 P08684 2/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
EIF2AK3 Q9NZJ5 1/20 0.39
EIF2AK4 Q9P2K8 1/20 0.39
CCR2 P41597 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL1848763 0.84 CYP2C9 (0.38) ERN1TSHRHSD17B10PTGES2BRAF
SCHEMBL1845246 0.83 MAPK13 (0.48) ERN1TSHRHSD17B10BRAFCYP3A4
SCHEMBL1850583 0.78 CYP2C9 (0.43) ERN1PTGES2BRAFCYP2C19CYP2C9
SCHEMBL12482761 0.74 BRAF (0.43) ERN1PTGES2BRAFCYP2C19CYP2C9
SCHEMBL17685046 0.74 PIK3CA (0.39) BRAFCYP2C19PIK3CANR1I2
SCHEMBL1846102 0.73 ERN1 (0.40) ERN1BRAFCYP2C19CYP2C9CYP3A4
SCHEMBL1847158 0.72 CYP2C19 (0.39) TSHRHSD17B10PTGES2BRAFCYP2C19
SCHEMBL12563566 0.72 USP2 (0.52) L3MBTL1
SCHEMBL1851673 0.72 PIK3CA (0.40) ERN1BRAFPIK3CAMTOREIF2AK3
SCHEMBL574453 0.71 PTGES2 (0.54) ERN1PTGES2BRAFCYP2C19CYP2C9

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 ERN1 702/4885TSHR 3492/4885HSD17B10 3389/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 ERN1 702/4885TSHR 3492/4885HSD17B10 3389/4885

“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.