SCHEMBL4280845

SCHEMBL4280845

CN1CCN(c2ccc(C(=O)Nc3nn(S(=O)(=O)c4ccccc4)c4c3CNC4)c(C(F)(F)F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.41
INSR P06213 4/20 0.38
ALK Q9UM73 4/20 0.38
HTR6 P50406 5/20 0.38
DRD2 P14416 4/20 0.38
DRD3 P35462 2/20 0.38
AURKA O14965 6/20 0.38
AURKB Q96GD4 1/20 0.38
HTR1A P08908 1/20 0.37
DRD1 P21728 1/20 0.37
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 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
SCHEMBL4288084 0.85 NTRK1 (0.43) AURKAAURKB
SCHEMBL4279354 0.85 NPC1 (0.48) IGF1RALKAURKAAURKBKIT
SCHEMBL4285119 0.79 ALK (0.39) IGF1RINSRALKAURKAAURKB
SCHEMBL1885508 0.79 ALK (0.54) IGF1RINSRALKHTR6DRD2
Hydrochloric Acid SCHEMBL4285112 0.78 ALK (0.38) IGF1RINSRALKAURKAAURKB
SCHEMBL4279748 0.78 ALDH1A1 (0.44)
SCHEMBL4280835 0.78 IGF1R (0.59) IGF1RINSRALKDRD3AURKA
SCHEMBL4280877 0.78 NPC1 (0.39) IGF1RALKAURKAAURKBKIT
SCHEMBL4283449 0.77 IGF1R (0.42) IGF1RINSRALKHTR6DRD3
SCHEMBL4289180 0.76 ITGB3 (0.46) IGF1RHTR6DRD3AURKAAURKB

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 4 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
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

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 IGF1R 530/4885INSR 773/4885ALK 443/4885

“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.