SCHEMBL5451914

SCHEMBL5451914

O=C(Nc1n[nH]c2c1CN(c1ccnc(N3CCN(CCO)CC3)n1)C2)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 1/20 0.42
PRKCB P05771 3/20 0.42
ACHE P22303 2/20 0.41
DRD4 P21917 1/20 0.41
AURKA O14965 4/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
FLT3 P36888 4/20 0.40
KIT P10721 3/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5451389 0.92 FLT3 (0.49) PAK4PRKCBAURKACCNA2CDK2
SCHEMBL5449475 0.90 DGAT1 (0.46) PAK4PRKCBAURKACCNA2CDK2
SCHEMBL5448155 0.89 NPC1 (0.49) PAK4PRKCBAURKACCNA2CDK2
SCHEMBL5451968 0.87 PRKCB (0.44) PAK4PRKCBAURKACCNA2CDK2
SCHEMBL5451912 0.87 ACHE (0.41) PAK4PRKCBACHEDRD4PDGFRB
SCHEMBL5451960 0.83 CCNA2 (0.51) ACHEDRD4AURKACCNA2CDK2
SCHEMBL5449320 0.82 PAK4 (0.44) PAK4PRKCBAURKACCNA2CDK2
SCHEMBL5448080 0.82 AURKA (0.45) PAK4PRKCBAURKACCNA2CDK2
SCHEMBL5451393 0.82 NFKB1 (0.44) PAK4PRKCBAURKACCNA2CDK2
SCHEMBL5451827 0.82 AURKA (0.48) PAK4PRKCBAURKACCNA2CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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 PAK4 201/4885PRKCB 41/4885ACHE 1379/4885

“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.