SCHEMBL1974979

SCHEMBL1974979

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2n[nH]cc2-c2ccnc(NC(=O)c3cccs3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.46
RXFP1 Q9HBX9 1/20 0.45
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PRKCI P41743 1/20 0.42
KDR P35968 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EEF2K O00418 1/20 0.42
PLK1 P53350 1/20 0.42
CLK1 P49759 1/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL1847050 0.87 BRAF (0.49) BRAFCYP2D6CYP2C9KDREEF2K
SCHEMBL1848962 0.86 BRAF (0.51) BRAFCYP2D6CYP2C9KDREEF2K
Cyclopentane SCHEMBL2706138 0.85 RIPK1 (0.45) BRAFCYP2D6CYP2C9KDRRAB9A
SCHEMBL1848593 0.85 BRAF (0.50) BRAFCYP2D6CYP2C9KDREEF2K
SCHEMBL1846120 0.85 BRAF (0.46) BRAFCYP2D6CYP2C9KDREEF2K
SCHEMBL1978367 0.84 BRAF (0.47) BRAFRXFP1CYP2D6CYP2C9PRKCI
SCHEMBL1847622 0.84 EEF2K (0.59) BRAFCYP2D6CYP2C9KDREEF2K
SCHEMBL1846671 0.83 KDR (0.54) BRAFRXFP1KDR
SCHEMBL1845244 0.82 BRAF (0.47) BRAFCYP2D6CYP2C9KDREEF2K
SCHEMBL1847004 0.82 BRAF (0.51) BRAFCYP2D6CYP2C9KDRRIPK1

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
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
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
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-16 US 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 115/4885RXFP1 4713/4885CYP2D6 1773/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 BRAF 115/4885RXFP1 4713/4885CYP2D6 1773/4885

“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.