SCHEMBL4289180

SCHEMBL4289180

O=C(Nc1nn(S(=O)(=O)c2ccccc2)c2c1CNC2)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
HTR6 P50406 10/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KAT6A Q92794 1/20 0.41
KIT P10721 1/20 0.40
AURKA O14965 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
DRD3 P35462 2/20 0.39
AURKB Q96GD4 1/20 0.39
IGF1R P08069 1/20 0.38

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
SCHEMBL4285654 0.93 SMN1; SMN2 (0.47) ALDH1A1TSHRHSD17B10
SCHEMBL4287244 0.92 ALDH1A1 (0.47) ALDH1A1TSHRAURKAHDAC3HDAC1
SCHEMBL4279354 0.91 NPC1 (0.48) ALDH1A1KITAURKAAURKBIGF1R
SCHEMBL4285294 0.90 AURKA (0.38) ITGB3ITGA2BALDH1A1HSD17B10AURKA
SCHEMBL4278068 0.90 TNIK (0.38) ITGB3ITGA2BALDH1A1TSHRHSD17B10
SCHEMBL4282071 0.88 TRPV4 (0.46) AURKAAURKB
SCHEMBL4280877 0.88 NPC1 (0.39) ALDH1A1TSHRKITAURKAAURKB
SCHEMBL4279238 0.88 FLT3 (0.44) HTR6AURKAHDAC3HDAC1HDAC2
SCHEMBL4285338 0.88 GAA (0.44) ITGB3ITGA2BHTR6KITAURKA
SCHEMBL4289169 0.88 AURKA (0.42) HTR6KITAURKAHDAC3HDAC1

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 ITGB3 3237/4885ITGA2B 2874/4885HTR6 4036/4885

“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.