SCHEMBL6888091

SCHEMBL6888091

O=c1[nH]c(-c2ccccc2)nc2ccc(N3CCN4CCC3CC4)cc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.51
TNKS2 Q9H2K2 4/20 0.51
PARP1 P09874 3/20 0.51
CHRNA7 P36544 2/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PARP2 Q9UGN5 1/20 0.46
HPGD P15428 3/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GUSB P08236 1/20 0.43

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
SCHEMBL1669111 0.94 HPGD (0.46) TNKSTNKS2PARP1CHRNA7ALDH1A1
SCHEMBL6886715 0.90 NPC1 (0.57) TNKSTNKS2PARP1CHRNA7ALDH1A1
SCHEMBL6888887 0.90 CHRNA7 (0.44) TNKSTNKS2PARP1CHRNA7ALDH1A1
SCHEMBL6888606 0.90 TNKS (0.48) TNKSTNKS2PARP1CHRNA7ALDH1A1
SCHEMBL6888601 0.87 CHRNA7 (0.48) TNKSTNKS2PARP1CHRNA7KDM4E
SCHEMBL1669269 0.85 TNKS (0.44) TNKSTNKS2PARP1CHRNA7ALDH1A1
SCHEMBL6887335 0.84 TNKS (0.48) TNKSTNKS2PARP1ALDH1A1MAPT
SCHEMBL6888303 0.83 CHRNA7 (0.49) TNKSTNKS2PARP1CHRNA7
SCHEMBL1670541 0.82 CHRNA7 (0.44) TNKSTNKS2PARP1CHRNA7ALDH1A1
SCHEMBL11922765 0.81 CHRNA7 (0.45) TNKSTNKS2PARP1CHRNA7ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 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-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 TNKS 4707/4885TNKS2 4741/4885PARP1 4650/4885

“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.