Sugi Predict

Sugi Predict / Compounds / SCHEMBL6887956

SCHEMBL6887956

SCHEMBL6887956

Cn1c(-c2cccc(C#N)c2)nc2cc(N3CCN4CCC3CC4)ccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.41
▸ CYP1A2 P05177 8/20 0.40
▸ CASP1 P29466 7/20 0.40
▸ CASP7 P55210 7/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ USP2 O75604 6/20 0.40
▸ HSD17B10 Q99714 5/20 0.40
▸ TSHR P16473 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ HRH3 Q9Y5N1 4/20 0.38
▸ CYP3A4 P08684 6/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KCNH2 Q12809 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ GLA P06280 2/20 0.37
▸ KMT2A Q03164 2/20 0.37

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
SCHEMBL1668821 0.95 HRH3 (0.39) CHRNA7CYP1A2CASP1CASP7ALDH1A1
SCHEMBL11905048 0.93 CHRNA7 (0.41) CHRNA7CYP1A2CASP1CASP7ALDH1A1
SCHEMBL1668780 0.88 HRH3 (0.39) CHRNA7CYP1A2CASP1CASP7ALDH1A1
SCHEMBL11905558 0.86 CHRNA7 (0.43) CHRNA7CYP1A2ALDH1A1USP2TSHR
SCHEMBL6890582 0.86 KDM4E (0.44) CHRNA7CYP1A2HSD17B10CYP2C9HRH3
SCHEMBL6888683 0.81 CHRNA7 (0.46) CHRNA7ALDH1A1TSHRHRH3HPGD
SCHEMBL6887906 0.80 CHRNA7 (0.40) CHRNA7CYP1A2CASP1CASP7ALDH1A1
SCHEMBL6887807 0.80 CYP1A2 (0.47) CHRNA7CYP1A2CASP1CASP7ALDH1A1
SCHEMBL6887461 0.80 CHRNA7 (0.48) CHRNA7HRH3KCNH2ADRA1A
SCHEMBL6889811 0.79 CHRNA7 (0.52) CHRNA7HRH3KCNH2

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 CHRNA7 3/4885CYP1A2 294/4885CASP1 4465/4885

“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.