SCHEMBL5451393

SCHEMBL5451393

O=C(Nc1n[nH]c2c1CN(c1ccnc(Nc3ccccc3)n1)C2)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.44
NR2C2 P49116 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
TAB1 Q15750 3/20 0.44
AURKA O14965 2/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
SCN9A Q15858 9/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PAK4 O96013 1/20 0.41
PRKCB P05771 3/20 0.41
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL5449320 0.90 PAK4 (0.44) AURKACCNA2CDK2CCNA1NPC1
SCHEMBL5459482 0.89 AURKA (0.44) AURKACCNA2CDK2CCNA1NPC1
SCHEMBL5449451 0.89 NPC1 (0.43) AURKACCNA2CDK2CCNA1NPC1
SCHEMBL5451827 0.85 AURKA (0.48) AURKACCNA2CDK2CCNA1NPC1
SCHEMBL5448080 0.85 AURKA (0.45) AURKACCNA2CDK2CCNA1NPC1
SCHEMBL5447013 0.84 CCNA2 (0.52) AURKACCNA2CDK2CCNA1SCN9A
SCHEMBL5448155 0.83 NPC1 (0.49) AURKACCNA2CDK2CCNA1NPC1
SCHEMBL5451389 0.83 FLT3 (0.49) AURKACCNA2CDK2CCNA1PAK4
SCHEMBL5454557 0.83 AURKA (0.55) AURKACCNA2CDK2CCNA1
SCHEMBL5451968 0.82 PRKCB (0.44) AURKACCNA2CDK2CCNA1NPC1

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
EP-1608364-A1 BICYCLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-12-28 EP claimed
WO-2004080457-A1 BICYCLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-09-23 WO claimed
US-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-02-15 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-20070037790-A1 Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K7, MAP3K19 NFKB1 439/4885NR2C2 2662/4885NFKB2 574/4885

“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.