SCHEMBL5454773

SCHEMBL5454773

CN1CCC(Oc2nccc(N3Cc4[nH]nc(NC(=O)c5cccc(Oc6ccccc6)c5)c4C3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.46
PRKCB P05771 3/20 0.45
KIT P10721 5/20 0.44
PAK4 O96013 1/20 0.44
CCNA2 P20248 4/20 0.42
CDK2 P24941 4/20 0.42
CCNA1 P78396 4/20 0.42
AURKA O14965 5/20 0.41
AURKB Q96GD4 3/20 0.41
MAPK14 Q16539 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
RET P07949 1/20 0.40
BCR P11274 1/20 0.40
FGFR1 P11362 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
SCHEMBL5454768 0.87 FLT3 (0.41) FLT3PRKCBKITPAK4MAPK14
SCHEMBL5451389 0.86 FLT3 (0.49) FLT3PRKCBKITPAK4CCNA2
SCHEMBL5448080 0.86 AURKA (0.45) FLT3PRKCBKITPAK4CCNA2
SCHEMBL5452858 0.84 CDK2 (0.50) FLT3KITPAK4CCNA2CDK2
SCHEMBL5457243 0.84 AURKA (0.47) FLT3KITPAK4CCNA2CDK2
SCHEMBL5451968 0.83 PRKCB (0.44) FLT3PRKCBKITPAK4CCNA2
SCHEMBL5449451 0.82 NPC1 (0.43) FLT3PRKCBKITPAK4CCNA2
SCHEMBL5451827 0.82 AURKA (0.48) FLT3PRKCBKITPAK4CCNA2
SCHEMBL5449475 0.81 DGAT1 (0.46) FLT3PRKCBKITPAK4CCNA2
SCHEMBL5459482 0.81 AURKA (0.44) FLT3PRKCBKITPAK4CCNA2

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 4 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
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 disclosed
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 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 FLT3 720/4885PRKCB 41/4885KIT 2681/4885

“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.