SCHEMBL5460464

SCHEMBL5460464

O=C(NCc1cccnc1)c1ccc2[nH]c3c(c2c1)CCCC3NCCc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 7/20 0.44
ROCK2 O75116 6/20 0.44
PARP1 P09874 2/20 0.43
NAMPT P43490 1/20 0.43
CDC42 P60953 1/20 0.43
GAA P10253 1/20 0.42
CASP6 P55212 1/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
DHODH Q02127 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
SCHEMBL5456586 0.93 BRD3 (0.45) BRD3PARP1NAMPTCDC42GAA
SCHEMBL5456602 0.93 BRD3 (0.45) BRD3ROCK2PARP1CDC42GAA
SCHEMBL5461870 0.93 ROCK2 (0.47) BRD3ROCK2PARP1NAMPTCDK1
SCHEMBL5454096 0.91 CDC42 (0.50) ROCK2PARP1NAMPTCDC42GAA
SCHEMBL5492905 0.91 SMN1; SMN2 (0.48) ROCK2PARP1CDC42GAACASP6
SCHEMBL5463485 0.89 CDC42 (0.44) BRD3ROCK2PARP1NAMPTCDC42
SCHEMBL5459002 0.89 DHODH (0.47) PARP1NAMPTCDC42GAACASP6
SCHEMBL5461879 0.89 GAA (0.51) PARP1CDC42GAACASP6
SCHEMBL14361241 0.88 BRD3 (0.47) BRD3ROCK2PARP1NAMPTGAA
SCHEMBL5460537 0.87 CDC42 (0.49) ROCK2PARP1NAMPTCDC42GAA

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 BRD3 529/4885ROCK2 2205/4885PARP1 709/4885

“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.