SCHEMBL1848290

SCHEMBL1848290

CC(C)(C)c1ccc(NC(=O)Nc2cccc(-c3n[nH]cc3-c3ccncc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.53
CNR1 P21554 4/20 0.53
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
STAT1 P42224 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
XBP1 P17861 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ROCK2 O75116 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP3A5 P20815 1/20 0.45
MAPK14 Q16539 2/20 0.45
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
BRAF P15056 2/20 0.43

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
SCHEMBL1845808 0.91 KDR (0.54) CNR1MAPTHTTRAB9AMAPK14
SCHEMBL1847100 0.89 CNR1 (0.46) RAF1CNR1MAPTSMN1; SMN2NPC1
SCHEMBL1847629 0.89 CNR1 (0.55) CNR1MAPTSMN1; SMN2ROCK2CYP3A4
SCHEMBL1848013 0.89 CNR1 (0.53) RAF1CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL1848777 0.88 CNR1 (0.58) CNR1ROCK2CYP3A4CYP3A5MAPK14
SCHEMBL1849122 0.87 TP53 (0.50) NPC1RAB9A
SCHEMBL1851325 0.87 RAF1 (0.56) RAF1CNR1MAPTSMN1; SMN2LMNA
SCHEMBL1847189 0.86 CNR1 (0.69) CNR1KMT2AKDR
SCHEMBL4547025 0.86 CNR1 (0.53) CNR1SMN1; SMN2ROCK2CYP3A4CYP3A5
SCHEMBL1847348 0.86 CNR1 (0.53) RAF1CNR1MAPTSMN1; SMN2HTT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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 143/4885CNR1 3811/4885MAPT 3183/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 RAF1 143/4885CNR1 3811/4885MAPT 3183/4885

“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.