SCHEMBL5454096

SCHEMBL5454096

O=C(NCc1cccnc1)c1ccc2[nH]c3c(c2c1)CCCC3NCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC42 P60953 1/20 0.50
GAA P10253 2/20 0.45
CASP6 P55212 1/20 0.45
PARP1 P09874 1/20 0.44
DHODH Q02127 1/20 0.44
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
MAPK3 P27361 2/20 0.43
MAPK1 P28482 2/20 0.43
NAMPT P43490 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL5460537 0.95 CDC42 (0.49) CDC42GAACASP6PARP1DHODH
SCHEMBL5445856 0.94 CDC42 (0.48) CDC42GAACASP6PARP1DHODH
SCHEMBL5456586 0.94 BRD3 (0.45) CDC42GAACASP6PARP1CDK1
SCHEMBL5461879 0.94 GAA (0.51) CDC42GAACASP6PARP1TLR7
SCHEMBL5459002 0.94 DHODH (0.47) CDC42GAACASP6PARP1DHODH
SCHEMBL5448977 0.93 CDC42 (0.48) CDC42GAAPARP1DHODHCDK1
SCHEMBL5460464 0.91 BRD3 (0.44) CDC42GAACASP6PARP1DHODH
SCHEMBL5492905 0.91 SMN1; SMN2 (0.48) CDC42GAACASP6PARP1DHODH
SCHEMBL5452942 0.91 NAMPT (0.48) CDC42GAACASP6DHODHMAPK3
SCHEMBL5463485 0.91 CDC42 (0.44) CDC42GAACASP6PARP1DHODH

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-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 CDC42 1241/4885GAA 1417/4885CASP6 3264/4885

“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.