SCHEMBL2476673

SCHEMBL2476673

O=[N+]([O-])c1cccc(-c2nn3c(c2-c2ccncc2)SCCC3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4D Q08499 4/20 0.40
PDE4B Q07343 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 2/20 0.38
CDC7 O00311 2/20 0.38
P2RX7 Q99572 2/20 0.37

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
SCHEMBL2477482 0.94 BCHE (0.45) BCHELMNASMN1; SMN2NPC1RAB9A
SCHEMBL2478416 0.81 FYN (0.40) CYP3A4CDK2
SCHEMBL2480248 0.81 MPO (0.39) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2477041 0.81 MPO (0.39) CYP3A4ALOX5MEN1
SCHEMBL3465911 0.79 FYN (0.45) PDE4DCDC7MAP4K4PIM1
SCHEMBL2481707 0.78 RAB9A (0.36) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2535199 0.76 BCHE (0.43) BCHELMNASMN1; SMN2NPC1RAB9A
SCHEMBL2479421 0.74 FYN (0.41) CYP3A4CDK2
SCHEMBL2481441 0.74 RAB9A (0.39) NPC1RAB9AMAPTALDH1A1CDC7
SCHEMBL2478554 0.74 CYP17A1 (0.37) CYP3A4ALOX5ALDH1A1MEN1

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 BCHE 3035/4885LMNA 3683/4885SMN1; SMN2 4275/4885

“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.