SCHEMBL11905063

SCHEMBL11905063

CN1C[C@@H]2C[C@H]1CN2c1ccc2nc(-c3cc(Cl)ccc3F)n(C)c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
IDO2 Q6ZQW0 2/20 0.36
JAK1 P23458 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
BRAF P15056 1/20 0.34
HSD11B1 P28845 1/20 0.34
KDM4E B2RXH2 2/20 0.34
APAF1 O14727 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11905916 0.91 TDO2 (0.45) IDO1TDO2IDO2JAK1MEN1
SCHEMBL6888595 0.89 TDO2 (0.41) IDO1TDO2IDO2JAK1KCNH2
SCHEMBL6889353 0.85 TDO2 (0.37) IDO1TDO2IDO2JAK1MEN1
SCHEMBL6888663 0.85 JAK1 (0.39) IDO1TDO2IDO2JAK1KCNH2
SCHEMBL11922768 0.85 LMNA (0.36) IDO1TDO2IDO2LMNAMEN1
SCHEMBL16103925 0.85 LMNA (0.36) IDO1TDO2IDO2LMNAMEN1
SCHEMBL17056822 0.85 LMNA (0.36) IDO1TDO2IDO2LMNAMEN1
SCHEMBL6889809 0.84 AVPR1A (0.44) HRH4LMNAMEN1KMT2AKCNH2
SCHEMBL11905325 0.82 IDO1 (0.41) IDO1TDO2IDO2KCNH2HRH3
SCHEMBL6888464 0.82 CHRNA7 (0.41) IDO1TDO2IDO2LMNAMEN1

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
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-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

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 HRH4 81/4885IDO1 1467/4885TDO2 2178/4885

“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.