SCHEMBL2535199

SCHEMBL2535199

O=[N+]([O-])c1cccc(-c2nn3c(c2-c2ccncc2)SCC3O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE4D Q08499 4/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
CDC7 O00311 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
ALOX5 P09917 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL2481243 0.90 BCHE (0.39) BCHEMAPTNPC1RAB9ACYP1A2
SCHEMBL2479502 0.90 BCHE (0.37) BCHEMAPTNPC1RAB9ACYP1A2
SCHEMBL2480574 0.79 BRAF (0.44) MAPTNPC1RAB9ACDC7LMNA
SCHEMBL2477482 0.78 BCHE (0.45) BCHEMAPTNPC1RAB9ACYP1A2
SCHEMBL2476673 0.76 BCHE (0.44) BCHEMAPTNPC1RAB9ACYP1A2
SCHEMBL2479781 0.71 MAPK14 (0.39) CDC7SMN1; SMN2ALOX5
SCHEMBL2507570 0.71 PDE4B (0.44) BCHEMAPTNPC1RAB9APDE4D
SCHEMBL2477600 0.70 MAPT (0.44) BCHEMAPTNPC1RAB9ACYP1A2
SCHEMBL2649031 0.69 MAPT (0.64) BCHEMAPTNPC1RAB9ACYP1A2
Hydrochloric Acid SCHEMBL9528174 0.68 NPC1 (0.62) BCHEMAPTNPC1RAB9ACYP1A2

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 3 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

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 BCHE 3035/4885MAPT 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.