SCHEMBL3596791

SCHEMBL3596791

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CCNA1 P78396 4/20 0.41
METAP2 P50579 1/20 0.35
KDM4C Q9H3R0 7/20 0.34
CCNC P24863 4/20 0.34
CDK8 P49336 4/20 0.34
HASPIN Q8TF76 2/20 0.34
AURKA O14965 1/20 0.34
PLK1 P53350 1/20 0.34
CDK19 Q9BWU1 1/20 0.33
KDM6B O15054 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KDM4A O75164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4D Q6B0I6 1/20 0.31

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
SCHEMBL3594877 0.87 CCNA2 (0.41) CCNA2CDK2CCNA1CCNCCDK8
SCHEMBL3600299 0.85 KDM4E (0.34) CCNA2CDK2CCNA1KDM4CKDM6B
SCHEMBL3590777 0.84 PIM1 (0.43) CCNA2CDK2CCNA1KDM4CKDM6B
SCHEMBL15005815 0.84 CCNA2 (0.34) CCNA2CDK2CCNA1CCNCCDK8
SCHEMBL3606901 0.79 ROCK2 (0.37) CCNA2CDK2CCNA1
SCHEMBL3606776 0.78 ROCK2 (0.36) CCNA2CDK2CCNA1ALDH1A1NAMPT
SCHEMBL15005649 0.75 ROCK2 (0.35) CCNA2CDK2CCNA1
SCHEMBL3604016 0.74 MEN1 (0.40) CCNA2CDK2CCNA1KDM4CCCNC
SCHEMBL3601640 0.74 CYP3A4 (0.38) CCNA2CDK2CCNA1METAP2
SCHEMBL3610186 0.74 CCNC (0.44) CCNA2CDK2CCNA1METAP2KDM4C

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 6 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 claimed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US claimed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 US claimed
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.