SCHEMBL1848666

SCHEMBL1848666

Nc1cccc(-c2nn(-c3ccccc3)cc2-c2ccncc2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.68
MAPK14 Q16539 2/20 0.68
PTGS2 P35354 8/20 0.55
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
ENPP3 O14638 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SRC P12931 1/20 0.46
KDR P35968 1/20 0.46
MAPT P10636 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
SCHEMBL2148513 0.84 BRAF (0.68) BRAFMAPK14PTGS2ALDH1A1KDM4E
SCHEMBL12461274 0.81 BRAF (0.64) BRAFMAPK14PTGS2ALDH1A1KDM4E
SCHEMBL1848555 0.79 MEN1 (0.67) BRAFMAPK14PTGS2ALDH1A1KMT2A
SCHEMBL7915220 0.78 PTGS2 (0.66) BRAFMAPK14PTGS2ALDH1A1KDM4E
SCHEMBL17619706 0.77 PTGS2 (0.51) BRAFMAPK14PTGS2ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL27671233 0.76 PTGS2 (0.64) BRAFMAPK14PTGS2ALDH1A1KDM4E
SCHEMBL2148379 0.76 KDM4E (0.63) BRAFMAPK14PTGS2ALDH1A1KDM4E
SCHEMBL1847930 0.74 PDE10A (0.48)
SCHEMBL16510709 0.74 ALDH1A1 (0.65) BRAFMAPK14PTGS2ALDH1A1KDM4E
SCHEMBL12854138 0.73 PTGS2 (0.55) BRAFMAPK14PTGS2ALDH1A1KDM4E

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
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
EP-2324008-B1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-05-09 EP disclosed
CN-102105459-A 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2011-06-22 CN 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 BRAF 115/4885MAPK14 55/4885PTGS2 2169/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 BRAF 115/4885MAPK14 55/4885PTGS2 2169/4885

“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.