SCHEMBL4279354

SCHEMBL4279354

CN1CCN(c2ccc(C(=O)Nc3nn(S(=O)(=O)c4ccccc4)c4c3CNC4)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
AURKA O14965 13/20 0.48
AURKB Q96GD4 4/20 0.47
FLT3 P36888 4/20 0.47
IGF1R P08069 1/20 0.46
FLT1 P17948 1/20 0.46
KDR P35968 1/20 0.46
ALK Q9UM73 1/20 0.46
KIT P10721 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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 0.91 ITGB3 (0.46) AURKAAURKBIGF1RKITALDH1A1
SCHEMBL4285654 0.91 SMN1; SMN2 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4280877 0.90 NPC1 (0.39) NPC1RAB9AAURKAAURKBFLT3
SCHEMBL4282071 0.90 TRPV4 (0.46) NPC1RAB9AAURKAAURKBSMN1; SMN2
SCHEMBL4279238 0.90 FLT3 (0.44) AURKAAURKBFLT3
SCHEMBL4287244 0.90 ALDH1A1 (0.47) AURKAFLT3KDRALDH1A1SMN1; SMN2
SCHEMBL4289169 0.90 AURKA (0.42) AURKAAURKBFLT3IGF1RFLT1
SCHEMBL4284769 0.89 FLT3 (0.39) NPC1RAB9AAURKAAURKBFLT3
SCHEMBL4285338 0.89 GAA (0.44) NPC1RAB9AAURKAAURKBFLT3
SCHEMBL4285294 0.88 AURKA (0.38) NPC1RAB9AAURKAAURKBFLT3

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 NPC1 4057/4885RAB9A 1065/4885AURKA 42/4885

“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.