SCHEMBL5447013

SCHEMBL5447013

O=C(Nc1n[nH]c2c1CN(c1ccnc(Nc3ccccc3)n1)C2)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.52
CDK2 P24941 6/20 0.52
CCNA1 P78396 6/20 0.52
AURKA O14965 11/20 0.47
NTRK1 P04629 1/20 0.44
SCN9A Q15858 1/20 0.42
AURKB Q96GD4 4/20 0.42
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42
BCR P11274 1/20 0.42
PDGFRA P16234 1/20 0.42
PARP1 P09874 1/20 0.41
BPTF Q12830 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ALK Q9UM73 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL5454557 0.90 AURKA (0.55) CCNA2CDK2CCNA1AURKAAURKB
SCHEMBL5463668 0.89 CCNA2 (0.52) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL5454686 0.85 CCNA2 (0.53) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL5456511 0.85 CCNA2 (0.56) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL5451393 0.84 NFKB1 (0.44) CCNA2CDK2CCNA1AURKASCN9A
SCHEMBL5447000 0.80 CCNA2 (0.56) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL5453835 0.79 CCNA2 (0.52) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL5459347 0.79 AURKA (0.61) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL5453857 0.78 CDK2 (0.53) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL5451846 0.77 CDK2 (0.50) 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 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 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.