SCHEMBL13097040

SCHEMBL13097040

CNc1cccc2c1Cc1c-2[nH]c(=O)c2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.41
TNKS O95271 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
CCNB2 O95067 5/20 0.40
CDK1 P06493 5/20 0.40
CCNB1 P14635 5/20 0.40
CCNB3 Q8WWL7 5/20 0.40
CDK5 Q00535 4/20 0.40
CDK5R1 Q15078 4/20 0.40
GSK3B P49841 3/20 0.40
AURKA O14965 2/20 0.37
PARP2 Q9UGN5 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC40A1 Q9NP59 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL3055218 0.84 CDC7 (0.39) PARP1TNKSTNKS2CCNB2CDK1
SCHEMBL13086587 0.82 CCNB2 (0.42) PARP1TNKSTNKS2CCNB2CDK1
SCHEMBL3060430 0.81 CCNB2 (0.44) PARP1TNKSTNKS2CCNB2CDK1
SCHEMBL3060166 0.81 PARP1 (0.43) PARP1TNKSTNKS2CCNB2CDK1
SCHEMBL13086468 0.80 MAP2K1 (0.45) PARP1TNKSTNKS2CCNB2CDK1
SCHEMBL2791695 0.80 CHEK1 (0.43) PARP1TNKSTNKS2CCNB2CDK1
SCHEMBL3063796 0.79 PARP1 (0.41) PARP1TNKSTNKS2CCNB2CDK1
SCHEMBL7903645 0.77 CCNB2 (0.39) PARP1TNKSTNKS2CCNB2CDK1
SCHEMBL2778486 0.77 LMNA (0.46) PARP1TNKSTNKS2LMNAHTR1A
SCHEMBL2782117 0.75 PARP1 (0.39) PARP1TNKSTNKS2GSK3BPARP2

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 PARP1 245/4885TNKS 780/4885TNKS2 1335/4885

“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.