SCHEMBL4289169

SCHEMBL4289169

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.42
HTR6 P50406 1/20 0.42
FGFR1 P11362 1/20 0.40
TNIK Q9UKE5 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
FLT3 P36888 3/20 0.40
AURKB Q96GD4 4/20 0.39
IGF1R P08069 1/20 0.39
FLT1 P17948 1/20 0.38
KDR P35968 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
SCHEMBL4279238 0.91 FLT3 (0.44) AURKAHTR6FGFR1HDAC3HDAC4
SCHEMBL4279251 0.90 HDAC4 (0.52) AURKAHDAC3HDAC4HDAC1HDAC7
SCHEMBL4279354 0.90 NPC1 (0.48) AURKAFLT3AURKBIGF1RFLT1
SCHEMBL4285654 0.88 SMN1; SMN2 (0.47)
SCHEMBL4289180 0.88 ITGB3 (0.46) AURKAHTR6HDAC3HDAC1HDAC2
SCHEMBL4287244 0.87 ALDH1A1 (0.47) AURKAHDAC3HDAC4HDAC1HDAC7
SCHEMBL4282071 0.85 TRPV4 (0.46) AURKAFGFR1AURKB
SCHEMBL4280877 0.85 NPC1 (0.39) AURKAFLT3AURKBIGF1RFLT1
SCHEMBL4285338 0.85 GAA (0.44) AURKAHTR6FGFR1FLT3AURKB
SCHEMBL4285294 0.85 AURKA (0.38) AURKAHDAC3HDAC4HDAC1HDAC7

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 42/4885HTR6 4036/4885FGFR1 371/4885

“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.