SCHEMBL12698378

SCHEMBL12698378

CON(C)C(=O)c1nn(C)c2c1CCCc1cnc(Nc3ccc(N4CCOCC4)cc3)nc1-2

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.69
CCNA2 P20248 13/20 0.69
CDK4 P11802 9/20 0.69
CCND3 P30281 9/20 0.69
CDK6 Q00534 9/20 0.69
AURKA O14965 8/20 0.69
TTK P33981 5/20 0.67
PIM1 P11309 2/20 0.67
PIM2 Q9P1W9 2/20 0.67
CCNA1 P78396 5/20 0.56
PLK1 P53350 4/20 0.53
PLK3 Q9H4B4 1/20 0.49
PLK2 Q9NYY3 1/20 0.49

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
SCHEMBL12698431 0.84 TTK (0.55) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL4155311 0.82 CDK2 (1.00) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL15377682 0.81 TTK (0.85) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL12698351 0.80 TTK (1.00) CDK2CCNA2CDK4CCND3CDK6
Trifluoroacetic Acid SCHEMBL15378000 0.80 TTK (0.51) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL4162908 0.80 CDK2 (0.77) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL15377577 0.79 TTK (0.71) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL15377255 0.79 CDK2 (0.69) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL15385485 0.78 TTK (0.77) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL12698391 0.78 TTK (0.74) CDK2CCNA2CDK4CCND3CDK6

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 9 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
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
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
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
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
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
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 239/4885CDK4 82/4885

“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.