Sugi Predict

Sugi Predict / Compounds / SCHEMBL17128014

SCHEMBL17128014

SCHEMBL17128014

CCC(=O)N1[C@H](C)CN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)cccc4c3OC)cc2)C[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ CHRM1 P11229 1/20 0.35
▸ MAPKAPK2 P49137 2/20 0.35
▸ KIT P10721 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL18436253 1.00 CHRM2 (0.36) CHRM2HRH4JAK1CHRM1MAPKAPK2
SCHEMBL17128173 0.92 CHRM1 (0.42) CHRM2HRH4CHRM1PARP1
SCHEMBL18436684 0.92 CHRM1 (0.42) CHRM2HRH4CHRM1PARP1
SCHEMBL17128117 0.91 MEN1 (0.38) CHRM2HRH4JAK1MAPKAPK2MEN1
SCHEMBL18436341 0.90 CHRM2 (0.37) CHRM2HRH4JAK1MAPKAPK2KIT
SCHEMBL17127783 0.90 CHRM2 (0.37) CHRM2HRH4JAK1MAPKAPK2KIT
SCHEMBL18436126 0.90 CHRM2 (0.37) CHRM2HRH4JAK1MAPKAPK2KIT
SCHEMBL21336923 0.90 CHRM2 (0.37) CHRM2HRH4JAK1MAPKAPK2KIT
SCHEMBL17128119 0.89 CHRM2 (0.34) CHRM2HRH4JAK1MAPKAPK2KIT
SCHEMBL17127784 0.88 SMO (0.41) CHRM2HRH4JAK1MAPKAPK2KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 — — EP disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 — — US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 — — US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 — — US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 — — EP disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 — — EP disclosed
WO-2015144001-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS 南京明德新药研发股份有限公司 2015-10-01 — — 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH CHRM2 3451/4885HRH4 300/4885JAK1 556/4885

“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.