SCHEMBL4285654

SCHEMBL4285654

O=C(Nc1nn(S(=O)(=O)c2ccccc2)c2c1CNC2)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
TP53 P04637 3/20 0.47
MAPT P10636 3/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 2/20 0.43
NR0B1 P51843 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4289180 0.93 ITGB3 (0.46) ALDH1A1HSD17B10TSHR
SCHEMBL4287244 0.92 ALDH1A1 (0.47) SMN1; SMN2MAPTPKMALDH1A1LMNA
SCHEMBL4279354 0.91 NPC1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4285294 0.90 AURKA (0.38) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL4278068 0.90 TNIK (0.38) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL4285338 0.88 GAA (0.44) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL4279238 0.88 FLT3 (0.44) MEN1KMT2A
SCHEMBL4282071 0.88 TRPV4 (0.46) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL4280877 0.88 NPC1 (0.39) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL4289169 0.88 AURKA (0.42)

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 SMN1; SMN2 4419/4885NPC1 4057/4885RAB9A 1065/4885

“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.