SCHEMBL1848555

SCHEMBL1848555

O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)cc2-c2ccncc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
BRAF P15056 2/20 0.61
MAPK14 Q16539 1/20 0.61
PTGS2 P35354 4/20 0.60
ALDH1A1 P00352 5/20 0.59
MAPT P10636 5/20 0.59
NPSR1 Q6W5P4 1/20 0.59
LMNA P02545 3/20 0.56
MAPK1 P28482 1/20 0.56
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.48
KDR P35968 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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 0.79 BRAF (0.68) MEN1KMT2ABRAFMAPK14PTGS2
SCHEMBL1848666 0.79 BRAF (0.68) MEN1KMT2ABRAFMAPK14PTGS2
SCHEMBL27811406 0.79 MAPT (0.74) MEN1KMT2APTGS2ALDH1A1MAPT
SCHEMBL12461274 0.79 BRAF (0.64) MEN1KMT2ABRAFMAPK14PTGS2
SCHEMBL17619710 0.77 PTGS2 (0.54) MEN1KMT2ABRAFMAPK14PTGS2
SCHEMBL1851371 0.77 PDE4A (0.48) MEN1KMT2AALDH1A1
SCHEMBL4174071 0.75 PTGS2 (0.76) PTGS2ALDH1A1MAPTLMNAHPGD
SCHEMBL4184447 0.75 PTGS2 (0.65) MEN1KMT2APTGS2ALDH1A1MAPT
SCHEMBL12491354 0.74 MAPK1 (0.48) MEN1KMT2ABRAFPTGS2ALDH1A1
SCHEMBL1846495 0.74 MAPT (0.61) MEN1KMT2AALDH1A1MAPTKEAP1

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 8 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
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 MEN1 2780/4885KMT2A 1195/4885BRAF 115/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 MEN1 2780/4885KMT2A 1195/4885BRAF 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.