SCHEMBL17034041

SCHEMBL17034041

Nc1nccc2scc(-c3ccc4c(C(=O)Nc5ccccc5)cccc4c3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 1.00
RET P07949 5/20 0.74
FGFR1 P11362 5/20 0.74
FLT1 P17948 5/20 0.74
PDGFRB P09619 1/20 0.74
PDGFRA P16234 1/20 0.74
AURKA O14965 4/20 0.58
ROCK2 O75116 4/20 0.58
RPS6KA5 O75582 4/20 0.58
MAP4K4 O95819 4/20 0.58
LCK P06239 4/20 0.58
LYN P07948 4/20 0.58
RPS6KB1 P23443 4/20 0.58
AXL P30530 4/20 0.58
FLT3 P36888 4/20 0.58
FRK P42685 4/20 0.58
CSNK1A1 P48729 4/20 0.58
CSNK1D P48730 4/20 0.58
CLK2 P49760 4/20 0.58
BLK P51451 4/20 0.58

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
SCHEMBL29550161 1.00 KDR (1.00) KDRRETFGFR1FLT1PDGFRB
SCHEMBL29549786 0.85 KDR (1.00) KDRRETFGFR1FLT1PDGFRB
SCHEMBL17034036 0.85 KDR (1.00) KDRRETFGFR1FLT1PDGFRB
SCHEMBL17034055 0.81 KDR (1.00) KDRRETFGFR1FLT1PDGFRB
SCHEMBL3531647 0.80 KDR (0.82) KDRRETFGFR1FLT1AURKA
SCHEMBL3531078 0.79 KDR (1.00) KDRRETFGFR1FLT1AURKA
SCHEMBL3530946 0.78 KDR (1.00) KDRRETFGFR1FLT1AURKA
SCHEMBL3531454 0.75 KDR (1.00) KDRRETFGFR1FLT1AURKA
SCHEMBL3528072 0.75 KDR (1.00) KDRRETFGFR1FLT1AURKA
SCHEMBL29549573 0.75 KDR (1.00) KDRRETFGFR1FLT1PDGFRB

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-3112351-B1 NAPHTHYLAMIDE COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-03-30 EP disclosed
US-9914707-B2 Naphthylamide compound, preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-03-13 US disclosed
US-20170066723-A1 NAPHTHYLAMIDE COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-03-09 US disclosed
EP-3112351-A1 NAPHTHYLAMIDE COMPOUND, PREPARATION METHOD AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-01-04 EP disclosed
WO-2015124101-A1 NAPHTHYLAMIDE COMPOUND, PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2015-08-27 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-20170066723-A1 NAPHTHYLAMIDE COMPOUND, PREPARATION METHOD AND USE THEREOF KDR, FLT1, FLT4 KDR 1/4885RET 224/4885FGFR1 6/4885

“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.