SCHEMBL2779370

SCHEMBL2779370

COCCN1CCN(c2cccc3c2Cc2c-3[nH]c(=O)c3c2CCCC3)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.41
HTR2A P28223 5/20 0.41
HTR1A P08908 5/20 0.41
SIGMAR1 Q99720 1/20 0.39
TNKS O95271 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
ADRA1B P35368 3/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
DRD3 P35462 2/20 0.36
DRD4 P21917 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX12 P18054 1/20 0.36
HTR7 P34969 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3050598 0.89 DRD2 (0.43) DRD2HTR2AHTR1AADRA1BADRA1D
SCHEMBL7906406 0.87 DRD2 (0.45) DRD2HTR2AHTR1AADRA1BADRA1D
SCHEMBL2799038 0.80 PARP1 (0.40) DRD2HTR2AHTR1APARP2ADRA1B
SCHEMBL2782521 0.76 KDR (0.44) PARP2
SCHEMBL7904328 0.74 ALDH1A1 (0.39) TNKSTNKS2PARP10PARP2MEN1
SCHEMBL2877897 0.74 ALDH1A1 (0.39) TNKSTNKS2PARP10PARP2MEN1
SCHEMBL2793742 0.72 TYMS (0.41) ALDH1A1HSD17B10
SCHEMBL13096346 0.72 CA1 (0.56) TNKSTNKS2PARP10PARP2
SCHEMBL13086583 0.71 PARP1 (0.43) PARP10ALDH1A1HSD17B10
SCHEMBL13086601 0.71 CCNB2 (0.41) ALDH1A1HSD17B10

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 5 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 claimed
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 claimed
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

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 DRD2 2481/4885HTR2A 1130/4885HTR1A 855/4885

“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.