SCHEMBL1978367

SCHEMBL1978367

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nn(C(=O)c3cccs3)cc2-c2ccnc(NC(=O)c3cccs3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK10 P53779 6/20 0.44
CYP3A4 P08684 1/20 0.44
PDGFRA P16234 1/20 0.44
KDM4E B2RXH2 4/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.41
PRKCI P41743 1/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 2/20 0.41
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
EEF2K O00418 1/20 0.41
PLK1 P53350 1/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1974979 0.84 BRAF (0.46) BRAFCYP2D6CYP2C9KDM4EPOLB
SCHEMBL1850439 0.72 BRAF (0.54) BRAFCYP2D6CYP2C9MAPT
SCHEMBL1850458 0.71 MAPK14 (0.56) BRAFCYP2D6CYP2C9
SCHEMBL1845541 0.71 BRAF (0.59) BRAFCYP2D6CYP2C9
SCHEMBL2477713 0.71 BRAF (0.44) BRAFCYP2D6CYP2C9EEF2KPLK1
SCHEMBL12685023 0.70 BRAF (0.69) BRAFCYP2D6CYP2C9
SCHEMBL1847050 0.70 BRAF (0.49) BRAFCYP2D6CYP2C9PDGFRAEEF2K
SCHEMBL17005569 0.70 BRAF (0.51) BRAFCYP2D6CYP2C9EPHX2
SCHEMBL17005542 0.70 BRAF (0.51) BRAFCYP2D6CYP2C9EPHX2
SCHEMBL1849038 0.70 BRAF (0.57) 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 5 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

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 115/4885CYP2D6 1773/4885CYP2C9 1857/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 BRAF 115/4885CYP2D6 1773/4885CYP2C9 1857/4885

“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.