SCHEMBL12499779

SCHEMBL12499779

CCOC(=O)c1c2c(nn1C)-c1nc(Nc3ccccc3)ncc1CCC2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.66
CCNA2 P20248 14/20 0.66
CCNA1 P78396 10/20 0.66
CDK4 P11802 5/20 0.66
CCND3 P30281 5/20 0.66
CDK6 Q00534 4/20 0.66
AURKA O14965 8/20 0.53
PLK1 P53350 4/20 0.53
TTK P33981 4/20 0.52
PLK3 Q9H4B4 1/20 0.52
PLK2 Q9NYY3 1/20 0.52
IGF1R P08069 3/20 0.47

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
SCHEMBL15377908 0.88 TTK (0.62) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL13852055 0.82 CDK2 (0.64) CDK2CCNA2CCNA1CDK4CCND3
Hydrochloric Acid SCHEMBL4162189 0.81 CDK2 (0.63) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL13852054 0.81 CDK2 (0.63) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL12499709 0.81 TTK (0.65) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL4154687 0.80 CDK2 (1.00) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL12499348 0.79 MEN1 (0.46) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL15378132 0.78 MAPT (0.44) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4162843 0.78 CDK2 (0.59) CDK2CCNA2CCNA1CDK4CCND3
SCHEMBL4148130 0.77 CDK2 (0.57) CDK2CCNA2CCNA1CDK4CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668188-B1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-05-18 EP disclosed
US-8916577-B2 Tricyclic derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-12-23 US disclosed
EP-2668188-A1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2013-12-04 EP disclosed
US-20130302416-A1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-14 US disclosed
WO-2012101029-A1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-08-02 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-20130302416-A1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS CDK1, MAP3K1, MAP3K20 CDK2 16/4885CCNA2 239/4885CCNA1 244/4885

“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.