SCHEMBL7903645

SCHEMBL7903645

COOCc1cccc2c1Cc1c-2[nH]c(=O)c2cccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 6/20 0.39
CDK1 P06493 6/20 0.39
CCNB1 P14635 6/20 0.39
CCNB3 Q8WWL7 6/20 0.39
BRD4 O60885 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP1 P09874 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CDK5 Q00535 6/20 0.35
CDK5R1 Q15078 6/20 0.35
GSK3B P49841 5/20 0.35
KDM4E B2RXH2 2/20 0.34
ALOX12 P18054 2/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL13086587 0.87 CCNB2 (0.42) CCNB2CDK1CCNB1CCNB3BRD4
SCHEMBL14097215 0.84 CA1 (0.45) CCNB2CDK1CCNB1CCNB3PARP1
SCHEMBL2791695 0.84 CHEK1 (0.43) CCNB2CDK1CCNB1CCNB3TNKS
SCHEMBL3063796 0.83 PARP1 (0.41) CCNB2CDK1CCNB1CCNB3BRD4
SCHEMBL7896161 0.79 CA1 (0.38) CCNB2CDK1CCNB1CCNB3PARP1
SCHEMBL13086468 0.77 MAP2K1 (0.45) CCNB2CDK1CCNB1CCNB3TNKS
SCHEMBL7903683 0.77 BRD4 (0.36) CCNB2CDK1CCNB1CCNB3BRD4
SCHEMBL3060166 0.77 PARP1 (0.43) CCNB2CDK1CCNB1CCNB3TNKS
SCHEMBL3060430 0.77 CCNB2 (0.44) CCNB2CDK1CCNB1CCNB3TNKS
SCHEMBL13097040 0.77 PARP1 (0.41) CCNB2CDK1CCNB1CCNB3TNKS

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 2 patents. 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
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO 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.