SCHEMBL10272476

SCHEMBL10272476

COC(=O)Nc1cccc(-c2n[nH]cc2-c2ccncc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.47
ALOX5 P09917 1/20 0.44
MAPK14 Q16539 2/20 0.43
CYP17A1 P05093 2/20 0.43
CNR1 P21554 1/20 0.43
IMPDH2 P12268 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RCE1 Q9Y256 1/20 0.42
JAK3 P52333 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
DYRK1A Q13627 1/20 0.41
NEK1 Q96PY6 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40

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
SCHEMBL1851689 0.89 NTRK1 (0.58) NTRK1ALOX5CYP17A1ALDH1A1KDM4E
SCHEMBL1847625 0.88 ALDH1A1 (0.51) NTRK1MAPK14ALDH1A1KDM4EGAA
SCHEMBL1851742 0.87 CNR1 (0.47) NTRK1ALOX5MAPK14CYP17A1CNR1
SCHEMBL1851180 0.87 NTRK1 (0.47) NTRK1ALOX5MAPK14CYP17A1CNR1
SCHEMBL1847629 0.87 CNR1 (0.55) MAPK14CNR1ALDH1A1TTK
SCHEMBL1846752 0.85 ALDH1A1 (0.63) CNR1ALDH1A1KDM4EGAAHSD17B10
SCHEMBL1850211 0.85 SMN1; SMN2 (0.60) NTRK1CNR1IMPDH2KDM4EGAA
SCHEMBL1849780 0.85 CYP3A4 (0.51) MAPK14CNR1ALDH1A1NEK1
SCHEMBL1851325 0.85 RAF1 (0.56) MAPK14CNR1IMPDH2ALDH1A1KDM4E
SCHEMBL1848013 0.84 CNR1 (0.53) MAPK14CNR1IMPDH2ALDH1A1

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
US-8946250-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-02-03 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
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
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 (1 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-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 NTRK1 1494/4885ALOX5 4006/4885MAPK14 55/4885

“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.