SCHEMBL4279748

SCHEMBL4279748

CN1CCN(c2ccc(C(=O)Nc3nn(S(=O)(=O)c4ccccc4)c4c3CNC4)cc2N)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 3/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 2/20 0.41
WDR5 P61964 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 2/20 0.39
MCL1 Q07820 1/20 0.39
KMT2A Q03164 5/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 4/20 0.39
TP53 P04637 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 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
SCHEMBL4288084 0.89 NTRK1 (0.43) GAAHPGDPOLBSMN1; SMN2MAPT
SCHEMBL4293066 0.88 MAPT (0.53) ALDH1A1GAAWDR5SMN1; SMN2NPC1
SCHEMBL4279354 0.87 NPC1 (0.48) ALDH1A1SMN1; SMN2NPC1
SCHEMBL4277929 0.80 HDAC3 (0.49) ALDH1A1SMN1; SMN2NPC1HDAC3HDAC2
SCHEMBL4284769 0.78 FLT3 (0.39) ALDH1A1WDR5SMN1; SMN2NPC1KMT2A
SCHEMBL4280845 0.78 IGF1R (0.41)
SCHEMBL4289180 0.78 ITGB3 (0.46) ALDH1A1HSD17B10USP2HDAC3HDAC2
SCHEMBL4285654 0.78 SMN1; SMN2 (0.47) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL4282071 0.78 TRPV4 (0.46) SMN1; SMN2NPC1KMT2AMAPTMEN1
SCHEMBL4279238 0.78 FLT3 (0.44) KMT2AMEN1HDAC3HDAC2

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 1863/4885KDM4E 1694/4885HSD17B10 3154/4885

“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.