SCHEMBL13086385

SCHEMBL13086385

CCc1cccc2c1Cc1c-2[nH]c(=O)c2sccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
NEK1 Q96PY6 9/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.36
DAO P14920 1/20 0.35
DDO Q99489 1/20 0.35
PDE5A O76074 1/20 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
SCHEMBL13086411 0.90 CCNB2 (0.40) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2790364 0.89 NEK1 (0.37) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL3054578 0.89 NEK1 (0.41) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL7903649 0.86 BRD4 (0.36) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2799129 0.81 ALDH1A1 (0.39) NEK1KDM4E
SCHEMBL10255638 0.80 CCNB2 (0.53) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2794799 0.79 PNMT (0.40) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2846960 0.79 CA1 (0.34) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL3058070 0.78 GSK3B (0.39) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2794689 0.78 NEK1 (0.39) NEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 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-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 CCNB2 1242/4885CDK1 782/4885CCNB1 837/4885

“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.