SCHEMBL1847495

SCHEMBL1847495

O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cccc(-c2n[nH]cc2-c2ccncc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.56
MAPK14 Q16539 2/20 0.52
BRAF P15056 1/20 0.52
KDR P35968 1/20 0.52
TNNI3K Q59H18 1/20 0.52
CNR1 P21554 1/20 0.51
IGF1R P08069 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 1/20 0.47
AURKA O14965 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
BTK Q06187 1/20 0.45
EPHB4 P54760 1/20 0.45
IMPDH2 P12268 1/20 0.45
FLT1 P17948 1/20 0.44
TEK Q02763 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL1850342 0.95 RAF1 (0.52) RAF1MAPK14BRAFKDRTNNI3K
SCHEMBL1847629 0.92 CNR1 (0.55) MAPK14BRAFKDRCNR1IGF1R
SCHEMBL1848777 0.91 CNR1 (0.58) MAPK14CNR1IGF1RALDH1A1AURKA
SCHEMBL1851325 0.90 RAF1 (0.56) RAF1MAPK14BRAFKDRCNR1
SCHEMBL4547025 0.87 CNR1 (0.53) MAPK14BRAFKDRCNR1ALDH1A1
SCHEMBL1847348 0.87 CNR1 (0.53) RAF1MAPK14KDRCNR1ALDH1A1
SCHEMBL1848013 0.87 CNR1 (0.53) RAF1MAPK14KDRCNR1ALDH1A1
SCHEMBL1847189 0.87 CNR1 (0.69) KDRCNR1
SCHEMBL1849331 0.87 NPC1 (0.53) MAPK14BRAFKDRTNNI3KCNR1
SCHEMBL1846752 0.86 ALDH1A1 (0.63) RAF1BRAFKDRCNR1ALDH1A1

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
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
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 RAF1 143/4885MAPK14 55/4885BRAF 115/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 RAF1 143/4885MAPK14 55/4885BRAF 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.