SCHEMBL2477600

SCHEMBL2477600

O=[N+]([O-])c1cccc(-c2nn3ccsc3c2-c2ccncc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
RPS6KA3 P51812 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4D Q08499 3/20 0.42
PDE4B Q07343 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
BCHE P06276 1/20 0.41
ALOX5 P09917 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
SCHEMBL2479502 0.86 BCHE (0.37) MAPTNPC1RAB9ACYP1A2CYP2C19
SCHEMBL2477533 0.80 FYN (0.42) MAPTCYP3A4EGFR
SCHEMBL2480192 0.80 LMNA (0.40) CYP3A4MEN1ALOX5ALDH1A1EGFR
SCHEMBL2478578 0.77 MAPK14 (0.47) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2476673 0.73 BCHE (0.44) MAPTNPC1RAB9ACYP1A2CYP2C19
SCHEMBL2477482 0.72 BCHE (0.45) MAPTNPC1RAB9ACYP1A2CYP2C19
SCHEMBL2649031 0.72 MAPT (0.64) MAPTNPC1RAB9ACYP1A2CYP2C19
SCHEMBL2477784 0.70 BRAF (0.41) CYP3A4EGFR
Hydrochloric Acid SCHEMBL9528174 0.70 NPC1 (0.62) MAPTNPC1RAB9ACYP1A2CYP2C19
Ammonia Solution, Strong SCHEMBL27579962 0.70 NPC1 (0.62) MAPTNPC1RAB9ACYP1A2CYP2C19

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 MAPT 2667/4885NPC1 3581/4885RAB9A 1548/4885

“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.