SCHEMBL19001073

SCHEMBL19001073

Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)ncc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.40
SOS1 Q07889 3/20 0.39
LRRK2 Q5S007 6/20 0.38
CLK2 P49760 2/20 0.38
HTT P42858 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP30 Q70CQ3 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL19001248 0.84 CNR2 (0.39) KDM4EALDH1A1GAAKMT2ALRRK2
SCHEMBL19001035 0.84 CNR2 (0.39) KDM4EALDH1A1GAAKMT2ALRRK2
SCHEMBL18436012 0.83 KDM4E (0.52) KDM4EALDH1A1GAAKMT2ALRRK2
SCHEMBL18436276 0.83 KDM4E (0.52) KDM4EALDH1A1GAAKMT2ALRRK2
SCHEMBL23377290 0.79 ALDH1A1 (0.49) KDM4EALDH1A1GAAKMT2ALRRK2
SCHEMBL19998609 0.79 KDM4E (0.49) KDM4EALDH1A1GAAKMT2ASOS1
SCHEMBL19012701 0.77 ALDH1A1 (0.47) KDM4EALDH1A1GAAKMT2ALRRK2
SCHEMBL16835552 0.74 ALDH1A1 (0.48) KDM4EALDH1A1GAAKMT2ALRRK2
SCHEMBL27028444 0.74 CLK2 (0.45) KDM4EALDH1A1GAAKMT2ASOS1
SCHEMBL15546192 0.74 ALDH1A1 (0.48) KDM4EALDH1A1GAAKMT2ALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KDM4E 415/4885ALDH1A1 892/4885GAA 2952/4885

“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.