SCHEMBL4285294

SCHEMBL4285294

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
AURKB Q96GD4 1/20 0.37
ATM Q13315 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
IGF1R P08069 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 3/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL4278068 0.93 TNIK (0.38) AURKAKMT2AALDH1A1MAPK1AURKB
SCHEMBL4287244 0.91 ALDH1A1 (0.47) AURKAKMT2AALDH1A1MAPK1KDR
SCHEMBL4285654 0.90 SMN1; SMN2 (0.47) KMT2AALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL4289180 0.90 ITGB3 (0.46) AURKAALDH1A1AURKBIGF1RITGB3
SCHEMBL4285338 0.90 GAA (0.44) AURKAKMT2AAURKBATMKDR
SCHEMBL4279354 0.88 NPC1 (0.48) AURKAALDH1A1AURKBKDRFLT3
SCHEMBL4282071 0.86 TRPV4 (0.46) AURKAKMT2AAURKBSMN1; SMN2MEN1
SCHEMBL4280877 0.86 NPC1 (0.39) AURKAKMT2AALDH1A1AURKBKDR
SCHEMBL4279238 0.86 FLT3 (0.44) AURKAKMT2AAURKBFLT3HDAC3
SCHEMBL4289169 0.85 AURKA (0.42) AURKAAURKBKDRFLT3IGF1R

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 AURKA 42/4885KMT2A 838/4885ALDH1A1 1863/4885

“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.