SCHEMBL1847622

SCHEMBL1847622

CCNc1cc(-c2c[nH]nc2-c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.59
PLK1 P53350 1/20 0.59
BRAF P15056 9/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 1/20 0.51
KDR P35968 6/20 0.50
MAPK14 Q16539 3/20 0.50
TNNI3K Q59H18 3/20 0.50
MAPK10 P53779 4/20 0.46
PDGFRA P16234 2/20 0.46
CYP3A4 P08684 1/20 0.46
RIPK1 Q13546 1/20 0.43
CNR1 P21554 1/20 0.43
KIT P10721 2/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
FLT1 P17948 1/20 0.42
FLT3 P36888 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
SCHEMBL1847050 0.91 BRAF (0.49) EEF2KPLK1BRAFCYP2D6CYP2C9
SCHEMBL1848593 0.91 BRAF (0.50) EEF2KPLK1BRAFCYP2D6CYP2C9
SCHEMBL1848962 0.91 BRAF (0.51) EEF2KPLK1BRAFCYP2D6CYP2C9
SCHEMBL1852287 0.90 BRAF (0.50) EEF2KPLK1BRAFCYP2D6CYP2C9
SCHEMBL1846120 0.87 BRAF (0.46) EEF2KPLK1BRAFCYP2D6CYP2C9
Cyclopentane SCHEMBL2706138 0.86 RIPK1 (0.45) EEF2KPLK1BRAFCYP2D6CYP2C9
SCHEMBL1845244 0.85 BRAF (0.47) EEF2KPLK1BRAFCYP2D6CYP2C9
SCHEMBL1847004 0.85 BRAF (0.51) BRAFCYP2D6CYP2C9KDRMAPK14
SCHEMBL1845808 0.85 KDR (0.54) PLK1BRAFCYP2D6CYP2C9KDR
SCHEMBL1846671 0.84 KDR (0.54) BRAFKDR

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 11 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
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
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
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 EEF2K 201/4885PLK1 161/4885BRAF 115/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 EEF2K 201/4885PLK1 161/4885BRAF 115/4885

“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.