SCHEMBL3610186

SCHEMBL3610186

O=C(O)c1cc2c(n1CC(F)(F)F)-c1ccncc1CC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNC P24863 8/20 0.44
CDK8 P49336 8/20 0.44
HASPIN Q8TF76 8/20 0.44
CDK19 Q9BWU1 4/20 0.44
NTRK1 P04629 1/20 0.37
METAP2 P50579 3/20 0.36
CDC7 O00311 1/20 0.36
ROCK2 O75116 3/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
AURKA O14965 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
PLK1 P53350 1/20 0.33
CCNA1 P78396 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
SCHEMBL3592196 0.86 CCNC (0.44) CCNCCDK8HASPINCDK19METAP2
SCHEMBL3593197 0.78 ROCK2 (0.40) CCNCCDK8HASPINCDK19ROCK2
SCHEMBL3642772 0.77 ROCK2 (0.39) CCNCCDK8HASPINCDK19ROCK2
SCHEMBL3596791 0.74 CCNA2 (0.41) CCNCCDK8HASPINCDK19METAP2
SCHEMBL15005815 0.70 CCNA2 (0.34) CCNCCDK8HASPINCDK19ROCK2
SCHEMBL3594877 0.67 CCNA2 (0.41) CCNCCDK8HASPINCDK19ROCK2
SCHEMBL17788670 0.64 SRD5A2 (0.61) ROCK2
SCHEMBL3600299 0.63 KDM4E (0.34) ROCK2KDM4CCCNA2CDK2CCNA1
SCHEMBL3590777 0.62 PIM1 (0.43) ROCK2KDM4CCCNA2CDK2CCNA1
SCHEMBL3598117 0.62 CCNC (0.49) CCNCCDK8HASPINCDK19CDC7

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 CCNC 19/4885CDK8 36/4885HASPIN 514/4885

“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.