SCHEMBL4287244

SCHEMBL4287244

O=C(Nc1nn(S(=O)(=O)c2ccccc2)c2c1CNC2)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
KMT2A Q03164 4/20 0.46
AURKA O14965 4/20 0.45
KDR P35968 1/20 0.45
FLT3 P36888 1/20 0.45
LRRK2 Q5S007 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 2/20 0.43

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 0.92 SMN1; SMN2 (0.47) ALDH1A1MAPK1KMT2ASMN1; SMN2GAA
SCHEMBL4289180 0.92 ITGB3 (0.46) ALDH1A1HDAC3HDAC1HDAC2AURKA
SCHEMBL4285294 0.91 AURKA (0.38) ALDH1A1MAPK1HDAC8HDAC6HDAC3
SCHEMBL4279354 0.90 NPC1 (0.48) ALDH1A1AURKAKDRFLT3SMN1; SMN2
SCHEMBL4278068 0.89 TNIK (0.38) ALDH1A1MAPK1KMT2AAURKAFLT3
SCHEMBL4280877 0.88 NPC1 (0.39) ALDH1A1KMT2AAURKAKDRFLT3
SCHEMBL4285338 0.88 GAA (0.44) KMT2AAURKAKDRFLT3SMN1; SMN2
SCHEMBL4282071 0.88 TRPV4 (0.46) KMT2AAURKASMN1; SMN2MAPTMEN1
SCHEMBL4279238 0.88 FLT3 (0.44) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL4289169 0.87 AURKA (0.42) HDAC8HDAC6HDAC3HDAC4HDAC1

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 ALDH1A1 1863/4885MAPK1 33/4885HDAC8 666/4885

“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.