SCHEMBL18436677

SCHEMBL18436677

O=c1c(I)n[nH]c2c(Cl)cccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.58
FLT3 P36888 1/20 0.58
PLK3 Q9H4B4 1/20 0.58
DAO P14920 2/20 0.46
AR P10275 3/20 0.43
ADRA2A P08913 1/20 0.40
DYRK1A Q13627 3/20 0.39
NOS1 P29475 1/20 0.38
PARP1 P09874 2/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL15866141 0.85 CHEK1 (0.66) CHEK1FLT3PLK3DAOAR
SCHEMBL30040295 0.85 CHEK1 (0.66) CHEK1FLT3PLK3DAOAR
SCHEMBL594994 0.81 AR (0.39) CHEK1FLT3PLK3DAOAR
SCHEMBL594346 0.77 KDM4E (0.55) DAOARABL1KDM4EL3MBTL1
SCHEMBL3004142 0.73 CHEK1 (1.00) CHEK1FLT3PLK3DAOADRA2A
SCHEMBL13122682 0.72 CHEK1 (0.63) CHEK1FLT3PLK3DAOAR
SCHEMBL20674191 0.72 CHEK1 (0.63) CHEK1FLT3PLK3DAOAR
SCHEMBL3976004 0.72 CYP1A2 (0.61) CHEK1FLT3PARP1FGFR1FLT1
SCHEMBL29361454 0.72 CHEK1 (0.63) CHEK1FLT3PLK3DAOAR
SCHEMBL17829677 0.71 CHEK1 (0.58) CHEK1FLT3PLK3DAOAR

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 CHEK1 1053/4885FLT3 1098/4885PLK3 3752/4885

“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.