SCHEMBL2780403

SCHEMBL2780403

CC(C)N1CCN(c2cccc3c2Cc2c-3[nH]c(=O)c3cccnc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.36
CXCR4 P61073 1/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
PARP1 P09874 6/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 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
SCHEMBL2778486 0.89 LMNA (0.46) TNKSTNKS2GAAMEN1USP2
SCHEMBL2782117 0.87 PARP1 (0.39) TNKSTNKS2GAAMEN1USP2
SCHEMBL2798531 0.83 DRD2 (0.44) SMN1; SMN2HTR2AHTR2CSLC6A4PARP1
SCHEMBL2799038 0.82 PARP1 (0.40) LMNAKMT2ASMN1; SMN2HTR2ASLC6A4
SCHEMBL2799423 0.82 PARP1 (0.47) TNKSTNKS2HTR2AHTR2CSLC6A4
SCHEMBL13086587 0.75 CCNB2 (0.42) TNKSTNKS2PARP1CCNB2CDK1
SCHEMBL3060430 0.75 CCNB2 (0.44) TNKSTNKS2PARP1CCNB2CDK1
SCHEMBL3060166 0.75 PARP1 (0.43) TNKSTNKS2PARP1CCNB2CDK1
SCHEMBL13097040 0.74 PARP1 (0.41) TNKSTNKS2LMNACASP1CASP7
SCHEMBL2791695 0.73 CHEK1 (0.43) TNKSTNKS2GAALMNASMN1; SMN2

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 TNKS 780/4885TNKS2 1335/4885GAA 3385/4885

“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.