SCHEMBL19064271

SCHEMBL19064271

Cn1nc(C(=O)O)c2c1-c1nc(Nc3ccccc3)ncc1C(C)(C)C2

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.67
CCNA2 P20248 17/20 0.67
CCNA1 P78396 11/20 0.67
AURKA O14965 8/20 0.67
PLK1 P53350 4/20 0.67
CDK4 P11802 9/20 0.59
CCND3 P30281 9/20 0.59
CDK6 Q00534 7/20 0.59
IGF1R P08069 1/20 0.58
TTK P33981 3/20 0.56
PLK3 Q9H4B4 1/20 0.56
PLK2 Q9NYY3 1/20 0.56

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
SCHEMBL4158934 0.88 CDK2 (0.70) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL4154945 0.80 CDK2 (1.00) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL1559752 0.79 TTK (0.60) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL4160247 0.76 CDK2 (0.58) CDK2CCNA2CCNA1AURKACDK4
SCHEMBL16709756 0.74 TP53 (0.42) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL10191647 0.74 IGF1R (1.00) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL13852059 0.73 CDK2 (1.00) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL6052853 0.72 CDK2 (0.84) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL4152035 0.71 CDK2 (1.00) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL4171065 0.71 CDK2 (1.00) CDK2CCNA2CCNA1AURKAPLK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-07-06 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-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 CDK2 52/4885CCNA2 1217/4885CCNA1 957/4885

“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.