SCHEMBL17034027

SCHEMBL17034027

Nc1ncc(-c2cnn(CCO)c2)c2scc(-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 12/20 1.00
BTK Q06187 10/20 0.66
FGFR1 P11362 7/20 0.66
AURKB Q96GD4 6/20 0.66
FER P16591 5/20 0.66
BLK P51451 5/20 0.66
STK3 Q13188 5/20 0.66
RET P07949 5/20 0.66
PDGFRA P16234 5/20 0.66
AURKA O14965 5/20 0.66
RPS6KA3 P51812 5/20 0.66
MAP4K4 O95819 5/20 0.66
NTRK1 P04629 5/20 0.66
FYN P06241 5/20 0.66
MET P08581 5/20 0.66
NTRK3 Q16288 5/20 0.66
NTRK2 Q16620 5/20 0.66
TAOK1 Q7L7X3 5/20 0.66
FLT1 P17948 5/20 0.66
KIT P10721 5/20 0.66

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
SCHEMBL29549573 1.00 KDR (1.00) KDRBTKFGFR1AURKBFER
SCHEMBL18579380 0.87 KDR (0.76) KDRBTKFGFR1AURKBFER
Ilorasertib SCHEMBL3381224 0.79 KDR (1.00) KDRBTKFGFR1AURKBFER
Ilorasertib SCHEMBL29373142 0.79 KDR (1.00) KDRBTKFGFR1AURKBFER
Ilorasertib SCHEMBL29496449 0.79 KDR (1.00) KDRBTKFGFR1AURKBFER
SCHEMBL5472344 0.79 KDR (0.65) KDRBTKFGFR1AURKBFER
Ilorasertib SCHEMBL30406133 0.79 KDR (0.98) KDRBTKFGFR1AURKBFER
Ilorasertib SCHEMBL11898929 0.79 KDR (0.98) KDRBTKFGFR1AURKBFER
Ilorasertib SCHEMBL11900182 0.79 KDR (0.94) KDRBTKFGFR1AURKBFER
Ilorasertib SCHEMBL11899788 0.79 KDR (0.94) KDRBTKFGFR1AURKBFER

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 1/4885BTK 458/4885FGFR1 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.