SCHEMBL3593089

SCHEMBL3593089

CCOC(=O)c1c2c(n(C)c1I)-c1nc(N)ncc1CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.44
CDK2 P24941 10/20 0.44
CCNA1 P78396 9/20 0.44
CDK4 P11802 2/20 0.44
CCND3 P30281 2/20 0.44
CDK6 Q00534 2/20 0.44
HSP90AA1 P07900 1/20 0.39
KDM4E B2RXH2 2/20 0.38
AURKA O14965 3/20 0.37
PIM1 P11309 3/20 0.37
TTK P33981 3/20 0.37
PIM2 Q9P1W9 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CFTR P13569 2/20 0.34

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
SCHEMBL12466225 0.89 CCNA2 (0.46) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3602606 0.88 CCNA2 (0.45) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3595135 0.87 CCNA2 (0.46) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3596664 0.85 CCNA2 (0.40) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3593954 0.85 TTK (0.42) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3601706 0.83 CCNA2 (0.41) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL1559207 0.80 CCNA2 (0.66) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3596088 0.79 CCNA2 (0.55) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL15005623 0.78 CCNA2 (0.43) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3504023 0.76 CDK2 (0.54) CCNA2CDK2CCNA1CDK4CCND3

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-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 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-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 CCNA2 75/4885CDK2 9/4885CCNA1 30/4885

“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.