SCHEMBL19089528

SCHEMBL19089528

Cn1nc(C(=O)NCc2ccccc2)c2c1-c1nc(Nc3ccc(N4CC[N+](C)(O)CC4)cc3)ncc1CC2

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.77
CCNA2 P20248 16/20 0.77
AURKA O14965 13/20 0.77
CCNA1 P78396 12/20 0.77
CDK4 P11802 7/20 0.64
CCND3 P30281 7/20 0.64
CDK6 Q00534 7/20 0.64
PLK1 P53350 3/20 0.60
TTK P33981 3/20 0.60
PLK3 Q9H4B4 1/20 0.57
PLK2 Q9NYY3 1/20 0.57

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
SCHEMBL4162717 0.94 CDK2 (0.77) CDK2CCNA2AURKACCNA1CDK4
SCHEMBL4171285 0.92 CDK2 (0.83) CDK2CCNA2AURKACCNA1CDK4
Tartaric Acid SCHEMBL31326958 0.88 CDK2 (0.76) CDK2CCNA2AURKACCNA1CDK4
SCHEMBL18798759 0.84 CDK2 (0.79) CDK2CCNA2AURKACCNA1CDK4
Hydrochloric Acid SCHEMBL4154961 0.81 CDK2 (0.69) CDK2CCNA2AURKACCNA1CDK4
SCHEMBL4207511 0.80 CDK2 (0.66) CDK2CCNA2AURKACCNA1CDK4
SCHEMBL4213229 0.79 CDK2 (0.70) CDK2CCNA2AURKACCNA1CDK4
SCHEMBL6053080 0.79 CDK2 (0.65) CDK2CCNA2AURKACCNA1CDK4
SCHEMBL4166117 0.79 CDK2 (1.00) CDK2CCNA2AURKACCNA1CDK4
SCHEMBL4162875 0.78 CDK2 (1.00) CDK2CCNA2AURKACCNA1CDK4

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-10280176-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-05-07 US disclosed
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 (2 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-10280176-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors MAP3K5, MAP3K9, MAP4K2 CDK2 52/4885CCNA2 1217/4885AURKA 175/4885
US-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 CDK2 52/4885CCNA2 1217/4885AURKA 175/4885

“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.