Sugi Predict

Sugi Predict / Compounds / SCHEMBL6886715

SCHEMBL6886715

SCHEMBL6886715

Cc1cccc(-c2nc3ccc(N4CCN5CCC4CC5)cc3c(=O)[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CHRNA7 P36544 2/20 0.44
▸ PBRM1 Q86U86 1/20 0.44
▸ TNKS O95271 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42

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
SCHEMBL6888091 0.90 TNKS (0.51) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL6888887 0.88 CHRNA7 (0.44) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL6888606 0.88 TNKS (0.48) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL1669111 0.84 HPGD (0.46) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL1669269 0.83 TNKS (0.44) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL6888683 0.82 CHRNA7 (0.46) ALDH1A1MAPTHPGDKMT2ACHRNA7
SCHEMBL11922765 0.82 CHRNA7 (0.45) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL6886841 0.81 CHRNA7 (0.45) ALDH1A1MAPTHPGDKMT2ACHRNA7
SCHEMBL6888303 0.80 CHRNA7 (0.49) CHRNA7TNKSPARP1TNKS2
SCHEMBL6888601 0.80 CHRNA7 (0.48) KDM4EHPGDCHRNA7TNKSPARP1

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 9 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
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 NPC1 1024/4885RAB9A 1662/4885KDM4E 2824/4885

“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.