SCHEMBL4285149

SCHEMBL4285149

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)c(C(F)(F)F)c2)c2c1CNC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
BRAF P15056 3/20 0.43
RAF1 P04049 1/20 0.43
NTRK1 P04629 1/20 0.43
DDR1 Q08345 1/20 0.43
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
TNK2 Q07912 1/20 0.39
MAP4K2 Q12851 1/20 0.39

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
Hydrochloric Acid SCHEMBL4285146 0.99 TAAR1 (0.44) TAAR1BRAFRAF1NTRK1DDR1
SCHEMBL15338603 0.86 WDR5 (0.36) AURKA
SCHEMBL4279306 0.85 MAPT (0.50)
SCHEMBL4285119 0.85 ALK (0.39) NTRK1DDR1AURKAAURKBABL1
SCHEMBL4282647 0.84 TAAR1 (0.43) TAAR1BRAFRAF1NTRK1DDR1
Hydrochloric Acid SCHEMBL4279298 0.84 MAPT (0.50)
Hydrochloric Acid SCHEMBL4285112 0.84 ALK (0.38) NTRK1DDR1AURKAAURKBABL1
SCHEMBL5449603 0.84 MEN1 (0.49) TAAR1AURKAAURKB
Hydrochloric Acid SCHEMBL2927668 0.83 MEN1 (0.48) TAAR1AURKAAURKB
SCHEMBL4293087 0.82 FGFR1 (0.35) BRAFRAF1AURKA

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 24/4885RAF1 17/4885

“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.