SCHEMBL4282647

SCHEMBL4282647

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)c(C(F)(F)F)c2)c2c1CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
BRAF P15056 2/20 0.41
NTRK1 P04629 2/20 0.41
RAF1 P04049 1/20 0.41
DDR1 Q08345 1/20 0.41
AURKA O14965 1/20 0.40
PDPK1 O15530 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AURKB Q96GD4 1/20 0.40
TNK2 Q07912 1/20 0.39
MAP4K2 Q12851 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
WDR5 P61964 1/20 0.38
SRC P12931 1/20 0.37
EPHA2 P29317 1/20 0.37
BMX P51813 1/20 0.37
EPHB4 P54760 1/20 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
SCHEMBL4278011 0.87 MAPT (0.47) WDR5
SCHEMBL2921535 0.86 SMN1; SMN2 (0.48) TAAR1NTRK1DDR1AURKAAURKB
SCHEMBL4281362 0.86 ALK (0.39) WDR5
SCHEMBL4285149 0.84 TAAR1 (0.45) TAAR1BRAFNTRK1RAF1DDR1
SCHEMBL4278036 0.84 MAPK14 (0.35) BRAFNTRK1WDR5
Hydrochloric Acid SCHEMBL4285146 0.84 TAAR1 (0.44) TAAR1BRAFNTRK1RAF1DDR1
SCHEMBL4287268 0.81 TAAR1 (0.42) TAAR1BRAFNTRK1RAF1DDR1
SCHEMBL2928406 0.80 SMN1; SMN2 (0.43) NTRK1AURKAAURKB
SCHEMBL2929524 0.80 SMN1; SMN2 (0.47) AURKAAURKB
SCHEMBL2926843 0.79 SMN1; SMN2 (0.47)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
EP-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 EP disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 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-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS MAP3K19, CDK2, MAP3K1 TAAR1 1753/4885BRAF 24/4885NTRK1 1106/4885

“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.