SCHEMBL4288084

SCHEMBL4288084

CN1CCN(c2ccc(C(=O)Nc3nn(S(=O)(=O)c4ccccc4)c4c3CNC4)cc2C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
DDR1 Q08345 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL4279748 0.89 ALDH1A1 (0.44) MAPTTP53POLBSMN1; SMN2GAA
SCHEMBL4293066 0.85 MAPT (0.53) MAPTSMN1; SMN2GAA
SCHEMBL4280845 0.85 IGF1R (0.41) AURKAAURKB
SCHEMBL4279354 0.84 NPC1 (0.48) SMN1; SMN2AURKAAURKB
SCHEMBL4285149 0.79 TAAR1 (0.45) NTRK1RAF1BRAFDDR1ABL1
Hydrochloric Acid SCHEMBL4285146 0.79 TAAR1 (0.44) NTRK1RAF1BRAFDDR1ABL1
SCHEMBL4288078 0.78 IGF1R (0.56) NTRK1RAF1BRAFDDR1ABL1
SCHEMBL4277929 0.78 HDAC3 (0.49) SMN1; SMN2
SCHEMBL4284769 0.78 FLT3 (0.39) MAPTSMN1; SMN2AURKAAURKB
SCHEMBL4280877 0.77 NPC1 (0.39) MAPTTP53SMN1; SMN2AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US claimed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 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 NTRK1 1106/4885RAF1 17/4885BRAF 24/4885

“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.