Sugi Predict

Sugi Predict / Compounds / SCHEMBL17034036

SCHEMBL17034036

SCHEMBL17034036

Nc1ncnc2scc(-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 17/20 1.00
▸ RET P07949 5/20 1.00
▸ FGFR1 P11362 5/20 1.00
▸ FLT1 P17948 5/20 1.00
▸ PDGFRB P09619 3/20 1.00
▸ PDGFRA P16234 3/20 1.00
▸ MAP4K4 O95819 6/20 0.64
▸ MAP4K2 Q12851 6/20 0.64
▸ CLK4 Q9HAZ1 6/20 0.64
▸ PLK4 O00444 5/20 0.64
▸ MARK3 P27448 5/20 0.64
▸ AXL P30530 5/20 0.64
▸ LIMK1 P53667 5/20 0.64
▸ CSNK1G2 P78368 5/20 0.64
▸ STK3 Q13188 5/20 0.64
▸ CAMK2G Q13555 5/20 0.64
▸ CAMK2D Q13557 5/20 0.64
▸ MARK2 Q7KZI7 5/20 0.64
▸ HIPK4 Q8NE63 5/20 0.64
▸ SLK Q9H2G2 5/20 0.64

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
SCHEMBL29549786 1.00 KDR (1.00) KDRRETFGFR1FLT1PDGFRB
SCHEMBL29550161 0.85 KDR (1.00) KDRRETFGFR1FLT1PDGFRB
SCHEMBL17034041 0.85 KDR (1.00) KDRRETFGFR1FLT1PDGFRB
SCHEMBL13861829 0.79 KDR (0.79) KDRRETFGFR1FLT1PDGFRB
SCHEMBL4486611 0.78 KDR (1.00) KDRRETFGFR1FLT1PDGFRB
SCHEMBL4721372 0.76 PLK4 (0.89) KDRRETFGFR1FLT1PDGFRB
SCHEMBL17034055 0.76 KDR (1.00) KDRRETFGFR1FLT1PDGFRB
SCHEMBL29549573 0.75 KDR (1.00) KDRRETFGFR1FLT1PDGFRB
SCHEMBL17034027 0.75 KDR (1.00) KDRRETFGFR1FLT1PDGFRB
SCHEMBL5478260 0.74 PLK4 (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 7 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-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
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.