SCHEMBL5453857

SCHEMBL5453857

CC1CCN(c2nccc(N3Cc4[nH]nc(NC(=O)c5ccc(F)cc5)c4C3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.53
CCNA2 P20248 12/20 0.53
CCNA1 P78396 12/20 0.53
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CCNE1 P24864 4/20 0.43
AURKA O14965 6/20 0.43
NTRK1 P04629 1/20 0.41
AURKB Q96GD4 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND3 P30281 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
CDK6 Q00534 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
SCHEMBL5451846 0.91 CDK2 (0.50) CDK2CCNA2CCNA1CCNE1AURKA
SCHEMBL5451779 0.91 AURKA (0.49) CDK2CCNA2CCNA1AURKAAURKB
SCHEMBL5453835 0.88 CCNA2 (0.52) CDK2CCNA2CCNA1AURKANTRK1
SCHEMBL5451960 0.86 CCNA2 (0.51) CDK2CCNA2CCNA1AURKANTRK1
SCHEMBL5453832 0.85 ALDH1A1 (0.43) CDK2CCNA2CCNA1ALDH1A1HPGD
SCHEMBL5451968 0.83 PRKCB (0.44) CDK2CCNA2CCNA1AURKANTRK1
SCHEMBL5446062 0.83 AURKA (0.49) CDK2CCNA2CCNA1AURKAAURKB
SCHEMBL5454686 0.82 CCNA2 (0.53) CDK2CCNA2CCNA1AURKANTRK1
SCHEMBL5452858 0.80 CDK2 (0.50) CDK2CCNA2CCNA1AURKANTRK1
SCHEMBL5454355 0.80 AURKA (0.51) CDK2CCNA2CCNA1AURKANTRK1

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 CDK2 65/4885CCNA2 1123/4885CCNA1 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.