SCHEMBL2799423

SCHEMBL2799423

O=c1[nH]c2c(c3ncccc13)Cc1c-2cccc1N1CCN(CC2CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.47
TNKS O95271 2/20 0.39
DRD2 P14416 8/20 0.38
SLC6A4 P31645 2/20 0.38
HTR2A P28223 5/20 0.38
HTR2C P28335 3/20 0.38
BRD1 O95696 1/20 0.37
TAF1 P21675 1/20 0.37
BRPF1 P55201 1/20 0.37
HTR1A P08908 3/20 0.36
HTR7 P34969 3/20 0.36
HTR6 P50406 3/20 0.36
TNKS2 Q9H2K2 1/20 0.36
DRD3 P35462 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
KCNH2 Q12809 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL2782117 0.88 PARP1 (0.39) PARP1TNKSDRD2HTR2AHTR1A
SCHEMBL2778486 0.84 LMNA (0.46) PARP1TNKSDRD2HTR2AHTR1A
SCHEMBL2798531 0.84 DRD2 (0.44) PARP1DRD2SLC6A4HTR2AHTR2C
SCHEMBL2799038 0.83 PARP1 (0.40) PARP1DRD2SLC6A4HTR2AHTR1A
SCHEMBL2780403 0.82 TNKS (0.42) PARP1TNKSDRD2SLC6A4HTR2A
SCHEMBL2791695 0.73 CHEK1 (0.43) PARP1TNKSTNKS2
SCHEMBL13086587 0.73 CCNB2 (0.42) PARP1TNKSTNKS2PARP2
SCHEMBL3060166 0.73 PARP1 (0.43) PARP1TNKSTNKS2
SCHEMBL3060430 0.73 CCNB2 (0.44) PARP1TNKSTNKS2
SCHEMBL3063796 0.72 PARP1 (0.41) PARP1TNKSTNKS2

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 4 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
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
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 PARP1 245/4885TNKS 780/4885DRD2 2481/4885

“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.