SCHEMBL3594877

SCHEMBL3594877

COC(=O)c1cn(CC(F)(F)F)c2c1CCc1cnccc1-2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CCNA1 P78396 3/20 0.41
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.35
CFTR P13569 1/20 0.34
CYP11B2 P19099 1/20 0.34
ROCK2 O75116 2/20 0.34
CCNC P24863 3/20 0.33
CDK8 P49336 3/20 0.33
HTR3A P46098 2/20 0.33
NR4A2 P43354 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HASPIN Q8TF76 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL3596791 0.87 CCNA2 (0.41) CCNA2CDK2CCNA1KDM4EALDH1A1
SCHEMBL3588427 0.84 KDM4E (0.40) CCNA2CDK2CCNA1KDM4EALDH1A1
SCHEMBL15005815 0.80 CCNA2 (0.34) CCNA2CDK2CCNA1ROCK2CCNC
SCHEMBL3603816 0.77 PLK1 (0.35) CCNA2CDK2CCNA1CYP11B2ROCK2
SCHEMBL3592196 0.77 CCNC (0.44) ROCK2CCNCCDK8HASPINCDK19
SCHEMBL3606901 0.76 ROCK2 (0.37) CCNA2CDK2CCNA1MAPK1ROCK2
SCHEMBL15005649 0.73 ROCK2 (0.35) CCNA2CDK2CCNA1MAPK1ROCK2
SCHEMBL3600299 0.72 KDM4E (0.34) CCNA2CDK2CCNA1KDM4EALDH1A1
SCHEMBL3590777 0.71 PIM1 (0.43) CCNA2CDK2CCNA1KDM4EALDH1A1
SCHEMBL6791692 0.70 CDK2 (0.45) CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
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.