SCHEMBL2480574

SCHEMBL2480574

COc1cccc(-c2nn3c(c2-c2ccncc2)SCC3O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.44
MAPK14 Q16539 2/20 0.44
DCTPP1 Q9H773 1/20 0.43
MAPK13 O15264 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CDC7 O00311 1/20 0.37
RIPK2 O43353 1/20 0.37
KDR P35968 1/20 0.37
ALOX5 P09917 1/20 0.36
PDE10A Q9Y233 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
LMNA P02545 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
SCHEMBL2479781 0.90 MAPK14 (0.39) BRAFMAPK14DCTPP1MAPK13RAF1
SCHEMBL2477335 0.77 BRAF (0.47) BRAFMAPK14DCTPP1MAPK13RAF1
SCHEMBL2478578 0.69 MAPK14 (0.47) BRAFMAPK14DCTPP1MAPK13RAF1
SCHEMBL8382254 0.67 NPC1 (0.62) BRAFMAPK14DCTPP1MAPK13RAF1
SCHEMBL2532523 0.67 DYRK1A (0.52) BRAFRAF1NPC1RAB9AMAPT
SCHEMBL26645052 0.67 MAPK14 (0.45) BRAFMAPK14DCTPP1MAPK13RAF1
SCHEMBL30622759 0.67 MAPK14 (0.45) BRAFMAPK14DCTPP1MAPK13RAF1
Hydrochloric Acid SCHEMBL26645060 0.66 MAPK14 (0.44) BRAFMAPK14DCTPP1MAPK13RAF1
Hydrochloric Acid SCHEMBL26645658 0.66 MAPK14 (0.44) BRAFMAPK14DCTPP1MAPK13RAF1
Hydrochloric Acid SCHEMBL30622821 0.66 MAPK14 (0.44) BRAFMAPK14DCTPP1MAPK13RAF1

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 BRAF 41/4885MAPK14 60/4885DCTPP1 1251/4885

“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.