SCHEMBL4285338

SCHEMBL4285338

O=C(Nc1nn(S(=O)(=O)c2ccccc2)c2c1CNC2)c1ccc(N2CCN(C3CC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
AURKA O14965 6/20 0.37
DRD3 P35462 2/20 0.37
DRD2 P14416 1/20 0.37
HTR6 P50406 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FGFR1 P11362 3/20 0.37
FLT3 P36888 3/20 0.36
AURKB Q96GD4 3/20 0.36
TRPV4 Q9HBA0 1/20 0.36
ATM Q13315 1/20 0.36
IGF1R P08069 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
SCHEMBL4285294 0.90 AURKA (0.38) GAAAURKAMEN1KMT2ANPC1
SCHEMBL4278068 0.90 TNIK (0.38) AURKAMEN1KMT2ANPC1MAPT
SCHEMBL4279354 0.89 NPC1 (0.48) AURKANPC1RAB9ASMN1; SMN2FLT3
SCHEMBL4285654 0.88 SMN1; SMN2 (0.47) GAAMEN1KMT2ANPC1MAPT
SCHEMBL4289180 0.88 ITGB3 (0.46) AURKADRD3HTR6AURKBIGF1R
SCHEMBL4287244 0.88 ALDH1A1 (0.47) GAAAURKAMEN1KMT2AMAPT
SCHEMBL4280877 0.86 NPC1 (0.39) AURKAMEN1KMT2ANPC1MAPT
SCHEMBL4279238 0.86 FLT3 (0.44) HRH3AURKADRD3DRD2HTR6
SCHEMBL4282071 0.86 TRPV4 (0.46) AURKAMEN1KMT2ANPC1MAPT
SCHEMBL4289169 0.85 AURKA (0.42) AURKAHTR6FGFR1FLT3AURKB

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 GAA 3673/4885MMP2 3547/4885MMP13 4468/4885

“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.