SCHEMBL2476444

SCHEMBL2476444

O=[N+]([O-])c1cccc(-c2n[nH]c(S)c2-c2ccncc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
MAPT P10636 4/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
CDC7 O00311 1/20 0.46
MAPK14 Q16539 1/20 0.44
IDO1 P14902 2/20 0.44
PDE4D Q08499 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4B Q07343 1/20 0.43
BCHE P06276 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5449961 0.85 LRRK2 (0.54) ALOX5MAPTNPC1CYP1A2CYP3A4
SCHEMBL2481243 0.82 BCHE (0.39) ALOX5MAPTNPC1CYP1A2CYP3A4
SCHEMBL2479766 0.78 MAPK14 (0.44) MAPTNPC1RAB9AHPGDCDC7
SCHEMBL2649031 0.76 MAPT (0.64) ALOX5MAPTNPC1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9528174 0.75 NPC1 (0.62) ALOX5MAPTNPC1CYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL27579962 0.75 NPC1 (0.62) ALOX5MAPTNPC1CYP1A2CYP3A4
SCHEMBL2478461 0.74 MAPK14 (0.54) ALOX5NPC1RAB9ACDC7MAPK14
SCHEMBL1845616 0.74 ALOX5 (0.51) ALOX5MAPTNPC1CYP1A2CYP3A4
SCHEMBL2479347 0.74 LRRK2 (0.46) CDC7MAPK14IDO1
SCHEMBL5378145 0.73 MAPT (0.81) MAPTRAB9ALMNAHPGDIDO1

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-8524707-B2 Bicyclic pyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-03 US disclosed
EP-2373664-B1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
US-20110257165-A1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-10-20 US disclosed
EP-2373664-A1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2011-10-12 EP disclosed
WO-2010070060-A1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-06-24 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-20110257165-A1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K19, MAP4K3, MAP3K15 ALOX5 4518/4885MAPT 2667/4885NPC1 3581/4885

“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.