SCHEMBL12698346

SCHEMBL12698346

COCCCNC(=O)c1nn(C)c2c1CCCc1cnc(-c3ccc(C(F)(F)F)cc3)nc1-2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.48
CCNA2 P20248 10/20 0.48
CCNA1 P78396 9/20 0.48
AURKA O14965 6/20 0.48
PLK1 P53350 4/20 0.48
TRPV1 Q8NER1 1/20 0.45
CDK4 P11802 2/20 0.44
CCND3 P30281 2/20 0.44
CDK6 Q00534 2/20 0.44
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TTK P33981 6/20 0.43
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
IGF1R P08069 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
PLK2 Q9NYY3 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
SCHEMBL15377272 0.89 CDK2 (0.49) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL12698365 0.89 CDK2 (0.47) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL17746016 0.84 CCNA2 (0.54) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL15377710 0.82 CCNA2 (0.55) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL15377759 0.80 CDK2 (0.48) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL15377350 0.78 CDK2 (0.68) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL12698369 0.76 CDK2 (0.60) CDK2CCNA2CCNA1AURKAPLK1
Trifluoroacetic Acid SCHEMBL15377887 0.75 CDK2 (0.70) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL17745986 0.75 PLK1 (0.49) CDK2CCNA2CCNA1AURKAPLK1
SCHEMBL15378222 0.74 CCNA2 (0.53) 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 8 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
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 239/4885CCNA1 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.