SCHEMBL1974339

SCHEMBL1974339

COc1ccc(Cn2cc(-c3ccnc(NCCN(C)C)c3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.46
MAPK10 P53779 3/20 0.46
MAPK9 P45984 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
BRAF P15056 2/20 0.43
RAF1 P04049 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK14 Q16539 2/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36

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
SCHEMBL1847753 0.91 MAPK8 (0.47) MAPK8MAPK10MAPK9CYP3A4CYP2D6
SCHEMBL1850730 0.90 MAPK8 (0.46) MAPK8MAPK10MAPK9CYP3A4CYP2D6
SCHEMBL1847293 0.88 KMT2A (0.45) MAPK8MAPK10MAPK9CYP3A4CYP2D6
SCHEMBL1974617 0.87 MAPK8 (0.46) MAPK8MAPK10MAPK9CYP3A4CYP2D6
SCHEMBL1851520 0.86 MAPK8 (0.45) MAPK8MAPK10MAPK9CYP3A4CYP2D6
SCHEMBL1846522 0.85 KMT2A (0.46) MAPK8MAPK10MAPK9CYP3A4CYP2D6
SCHEMBL1848411 0.82 PDE4D (0.48) CYP3A4CYP2D6BRAFKMT2AMAPT
SCHEMBL1847007 0.79 BRAF (0.50) MAPK8MAPK10MAPK9CYP3A4CYP2D6
SCHEMBL1847299 0.78 KMT2A (0.43) MAPK9BRAFRAF1KMT2AMAPT
SCHEMBL1847735 0.77 KMT2A (0.48) CYP3A4CYP2D6KMT2AMAPTMEN1

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 5 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-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
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-16 US 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 MAPK8 238/4885MAPK10 314/4885MAPK9 50/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 MAPK8 238/4885MAPK10 314/4885MAPK9 50/4885

“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.