SCHEMBL1847007

SCHEMBL1847007

COc1ccc(Cn2cc(-c3ccnc(NCCN(C)C)c3)c(-c3cccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)c3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.50
RAF1 P04049 1/20 0.50
MAPK10 P53779 10/20 0.49
CYP2D6 P10635 4/20 0.49
CYP2C9 P11712 2/20 0.49
CYP3A4 P08684 2/20 0.47
PDGFRA P16234 1/20 0.47
MAPK8 P45983 3/20 0.43
MAPK9 P45984 1/20 0.43
KCNH2 Q12809 1/20 0.43
EEF2K O00418 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL1850652 0.91 BRAF (0.54) BRAFRAF1MAPK10CYP2D6CYP2C9
SCHEMBL1847332 0.90 BRAF (0.55) BRAFRAF1MAPK10CYP2D6CYP2C9
SCHEMBL1848573 0.89 BRAF (0.52) BRAFRAF1MAPK10CYP2D6CYP2C9
SCHEMBL1848810 0.81 BRAF (0.53) BRAFCYP2D6CYP2C9
SCHEMBL1974617 0.81 MAPK8 (0.46) BRAFRAF1MAPK10CYP2D6CYP3A4
SCHEMBL1852287 0.80 BRAF (0.50) BRAFMAPK10CYP2D6CYP2C9CYP3A4
SCHEMBL1974339 0.79 MAPK8 (0.46) BRAFRAF1MAPK10CYP2D6CYP3A4
SCHEMBL12685023 0.73 BRAF (0.69) BRAFCYP2D6CYP2C9
SCHEMBL12684807 0.72 BRAF (0.68) BRAFCYP2D6CYP2C9
SCHEMBL1846987 0.72 BRAF (0.71) BRAFCYP2D6CYP2C9

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 9 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
CN-102105459-B 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2014-09-10 CN 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
CN-102105459-A 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2011-06-22 CN 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 BRAF 115/4885RAF1 143/4885MAPK10 314/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 BRAF 115/4885RAF1 143/4885MAPK10 314/4885

“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.