SCHEMBL17128233

SCHEMBL17128233

CCOC(=O)c1cnc2c(-c3ccc(C#N)cc3)cccc2c1Br

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.46
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL17128232 0.88 ELANE (0.46) ELANEKMT2AMEN1NPC1RAB9A
SCHEMBL19001218 0.87 MEN1 (0.52) ELANEKMT2AMEN1
SCHEMBL17128238 0.84 PDE5A (0.44) ELANEKMT2AMEN1NPC1RAB9A
SCHEMBL4011505 0.76 KMT2A (0.55) KMT2AMEN1NPC1RAB9A
SCHEMBL11248352 0.74 SMN1; SMN2 (0.52) KMT2AMEN1NPC1RAB9A
SCHEMBL26167917 0.74 GRM7 (0.44) KMT2AMEN1NPC1RAB9A
SCHEMBL17128318 0.74 BRS3 (0.43)
SCHEMBL17128086 0.74 HRH4 (0.39)
SCHEMBL7009190 0.73 KMT2A (0.67) KMT2AMEN1NPC1RAB9A
SCHEMBL21101257 0.72 SMN1; SMN2 (0.54) KMT2AMEN1NPC1RAB9A

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-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP 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
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
US-8986993-B2 SMAC mimetic for treating myelodysplastic syndromes TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2015-03-24 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH ELANE 4719/4885KMT2A 325/4885MEN1 613/4885

“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.