SCHEMBL3607213

SCHEMBL3607213

COC(=O)c1cc2c([nH]1)-c1ccncc1CC2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNC P24863 9/20 0.53
CDK8 P49336 9/20 0.53
ROCK2 O75116 3/20 0.42
HASPIN Q8TF76 6/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PARP1 P09874 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CDK19 Q9BWU1 2/20 0.37
CYP1A2 P05177 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL3598117 0.85 CCNC (0.49) CCNCCDK8ROCK2HASPINCDK19
SCHEMBL3588999 0.82 CCNC (0.49) CCNCCDK8HASPINCDK19
SCHEMBL24744334 0.81 ALDH1A1 (0.51) CCNCCDK8ALDH1A1KDM4EGLA
SCHEMBL15005502 0.77 ROCK2 (0.35) CCNCCDK8ROCK2HASPINCDK19
SCHEMBL20747105 0.77 CCNC (0.54) CCNCCDK8HASPINCDK19
SCHEMBL3593351 0.75 MAP2K1 (0.46) CCNCCDK8ROCK2ALDH1A1KDM4E
SCHEMBL1005097 0.74 CYP1A2 (0.49) CCNCCDK8KDM4EGLAGAA
SCHEMBL10142500 0.74 GCGR (0.39) AAK1
SCHEMBL3599560 0.70 ROCK2 (0.47) CCNCCDK8ROCK2HASPIN
SCHEMBL18571896 0.69 CCNC (0.75) CCNCCDK8ROCK2HASPINCDK19

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 36/4885ROCK2 1055/4885

“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.