SCHEMBL5454686

SCHEMBL5454686

O=C(Nc1n[nH]c2c1CN(c1ccnc(NC3CC3)n1)C2)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 16/20 0.53
CDK2 P24941 16/20 0.53
CCNA1 P78396 16/20 0.53
AURKA O14965 6/20 0.43
NTRK1 P04629 1/20 0.41
HDAC1 Q13547 1/20 0.41
HRH4 Q9H3N8 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
SCHEMBL5454239 0.90 AURKA (0.51) CCNA2CDK2CCNA1AURKAHRH4
SCHEMBL5456511 0.86 CCNA2 (0.56) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL5447013 0.85 CCNA2 (0.52) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL5463668 0.84 CCNA2 (0.52) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL5454692 0.84 HRH4 (0.39) CCNA2CDK2CCNA1AURKAHDAC1
SCHEMBL5449451 0.82 NPC1 (0.43) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL5453857 0.82 CDK2 (0.53) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL5451846 0.81 CDK2 (0.50) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL5447000 0.80 CCNA2 (0.56) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL5453835 0.80 CCNA2 (0.52) CCNA2CDK2CCNA1AURKANTRK1

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 CCNA2 1123/4885CDK2 65/4885CCNA1 915/4885

“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.