SCHEMBL4278068

SCHEMBL4278068

O=C(Nc1nn(S(=O)(=O)c2ccccc2)c2c1CNC2)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.38
ATM Q13315 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
AURKA O14965 2/20 0.37
WDR91 A4D1P6 1/20 0.36
ITGAV P06756 1/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 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 0.93 AURKA (0.38) ATMITGB3ITGA2BAURKAITGAV
SCHEMBL4289180 0.90 ITGB3 (0.46) ITGB3ITGA2BAURKAALDH1A1HSD17B10
SCHEMBL4285654 0.90 SMN1; SMN2 (0.47) KMT2AMAPTSMN1; SMN2MEN1NPC1
SCHEMBL4285338 0.90 GAA (0.44) ATMITGB3ITGA2BAURKAKMT2A
SCHEMBL4287244 0.89 ALDH1A1 (0.47) AURKAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL4279354 0.88 NPC1 (0.48) AURKASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4280877 0.86 NPC1 (0.39) AURKAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL4282071 0.86 TRPV4 (0.46) AURKAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL4279238 0.86 FLT3 (0.44) AURKAKMT2AMEN1FLT3AURKB
SCHEMBL4289169 0.85 AURKA (0.42) TNIKAURKAFLT3AURKB

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 TNIK 548/4885ATM 322/4885ITGB3 3237/4885

“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.