SCHEMBL5454345

SCHEMBL5454345

CCOc1nccc(N2Cc3[nH]nc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.53
CDK2 P24941 8/20 0.44
CCNA2 P20248 7/20 0.44
CCNA1 P78396 7/20 0.44
AURKB Q96GD4 3/20 0.40
FLT3 P36888 2/20 0.40
LIMK1 P53667 2/20 0.40
LIMK2 P53671 2/20 0.40
AURKC Q9UQB9 2/20 0.40
F2 P00734 1/20 0.40
KMT2A Q03164 1/20 0.40
ABL1 P00519 3/20 0.38
BCR P11274 3/20 0.38
PLK1 P53350 2/20 0.38
NTRK1 P04629 2/20 0.38
RET P07949 2/20 0.38
FGFR1 P11362 2/20 0.38
PLK4 O00444 1/20 0.38
EPHB6 O15197 1/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL5447000 0.90 CCNA2 (0.56) AURKACDK2CCNA2CCNA1AURKB
SCHEMBL5457243 0.84 AURKA (0.47) AURKACDK2CCNA2CCNA1AURKB
SCHEMBL5454352 0.84 KMT2A (0.40) AURKAF2KMT2A
SCHEMBL5495916 0.84 AURKA (0.55) AURKACDK2CCNA2CCNA1AURKB
SCHEMBL5449349 0.82 AURKA (0.51) AURKACDK2CCNA2CCNA1AURKB
SCHEMBL5459347 0.82 AURKA (0.61) AURKACDK2CCNA2CCNA1AURKB
SCHEMBL5448080 0.82 AURKA (0.45) AURKACDK2CCNA2CCNA1FLT3
SCHEMBL5454239 0.82 AURKA (0.51) AURKACDK2CCNA2CCNA1AURKB
SCHEMBL5454355 0.82 AURKA (0.51) AURKACDK2CCNA2CCNA1AURKB
SCHEMBL5454557 0.81 AURKA (0.55) AURKACDK2CCNA2CCNA1AURKB

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
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 AURKA 179/4885CDK2 65/4885CCNA2 1123/4885

“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.