SCHEMBL18436392

SCHEMBL18436392

COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)CN)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.42
PARP1 P09874 4/20 0.38
PARP2 Q9UGN5 3/20 0.38
CHRM2 P08172 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
EGLN1 Q9GZT9 6/20 0.36
RET P07949 3/20 0.36
AOC3 Q16853 1/20 0.35
KIT P10721 1/20 0.35
IRAK4 Q9NWZ3 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
SCHEMBL17128236 1.00 CHRM1 (0.42) CHRM1PARP1PARP2CHRM2HRH4
SCHEMBL17128389 1.00 CHRM1 (0.42) CHRM1PARP1PARP2CHRM2HRH4
SCHEMBL18436835 1.00 CHRM1 (0.42) CHRM1PARP1PARP2CHRM2HRH4
SCHEMBL18420369 0.94 CHRM1 (0.42) CHRM1PARP1PARP2CHRM2HRH4
SCHEMBL21336763 0.94 CHRM1 (0.42) CHRM1PARP1PARP2CHRM2HRH4
SCHEMBL17128122 0.94 CHRM1 (0.42) CHRM1PARP1PARP2CHRM2HRH4
SCHEMBL17128173 0.93 CHRM1 (0.42) CHRM1PARP1PARP2CHRM2HRH4
SCHEMBL18436684 0.93 CHRM1 (0.42) CHRM1PARP1PARP2CHRM2HRH4
SCHEMBL21336879 0.90 RET (0.42) CHRM1PARP1PARP2CHRM2EGLN1
SCHEMBL17128387 0.90 RET (0.42) CHRM1PARP1PARP2CHRM2EGLN1

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 6 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-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

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 CHRM1 4004/4885PARP1 2982/4885PARP2 2401/4885

“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.