SCHEMBL1845541

SCHEMBL1845541

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nn(CCO)cc2-c2ccncc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
MAPK14 Q16539 5/20 0.50
AURKB Q96GD4 2/20 0.49
AURKA O14965 1/20 0.49
KDR P35968 2/20 0.48
TNNI3K Q59H18 1/20 0.48
CNR1 P21554 1/20 0.47
LCK P06239 2/20 0.47
FYN P06241 2/20 0.47
CSF1R P07333 2/20 0.47
LYN P07948 2/20 0.47
KIT P10721 2/20 0.47
SRC P12931 2/20 0.47
FLT1 P17948 2/20 0.47
FLT4 P35916 2/20 0.47
BLK P51451 2/20 0.47
ABL1 P00519 1/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL1847994 0.94 BRAF (0.60) BRAFCYP2D6CYP2C9MAPK14KDR
SCHEMBL1851198 0.92 BRAF (0.61) BRAFCYP2D6CYP2C9MAPK14AURKB
SCHEMBL1849041 0.92 BRAF (0.58) BRAFCYP2D6CYP2C9MAPK14KDR
SCHEMBL1846987 0.91 BRAF (0.71) BRAFCYP2D6CYP2C9MAPK14AURKB
SCHEMBL1849038 0.89 BRAF (0.57) BRAFCYP2D6CYP2C9MAPK14AURKB
SCHEMBL1853242 0.88 BRAF (0.59) BRAFCYP2D6CYP2C9MAPK14AURKB
SCHEMBL1848239 0.88 BRAF (0.59) BRAFCYP2D6CYP2C9MAPK14KDR
SCHEMBL4546734 0.88 BRAF (0.57) BRAFCYP2D6CYP2C9MAPK14KDR
SCHEMBL1850458 0.87 MAPK14 (0.56) BRAFCYP2D6CYP2C9MAPK14KDR
SCHEMBL12684807 0.87 BRAF (0.68) BRAFCYP2D6CYP2C9MAPK14AURKB

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102105459-B 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2014-09-10 CN claimed
US-20140005150-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-01-02 US claimed
US-8541575-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-24 US claimed
EP-2324008-B1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-05-09 EP claimed
CN-102105459-A 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2011-06-22 CN claimed
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-16 US claimed
EP-2324008-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-25 EP claimed
WO-2010010154-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-28 WO claimed
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-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-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
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
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 115/4885CYP2D6 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.