SCHEMBL6926673

SCHEMBL6926673

CC(C)c1csc2ncnc(N)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.49
MAP4K4 O95819 8/20 0.49
MAP4K2 Q12851 8/20 0.49
CLK2 P49760 7/20 0.49
CLK4 Q9HAZ1 7/20 0.49
LCK P06239 7/20 0.49
RPS6KA3 P51812 6/20 0.49
MET P08581 6/20 0.49
RET P07949 5/20 0.49
GSK3B P49841 5/20 0.49
ROCK1 Q13464 5/20 0.49
DYRK1A Q13627 5/20 0.49
CSF1R P07333 5/20 0.49
GSK3A P49840 4/20 0.49
CSNK1A1 P48729 4/20 0.49
CDK5 Q00535 4/20 0.49
PRKD3 O94806 4/20 0.49
TAOK1 Q7L7X3 4/20 0.49
NTRK3 Q16288 4/20 0.49
ABL1 P00519 4/20 0.49

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
SCHEMBL27010990 0.80 ELANE (0.40) KDRMAP4K4MAP4K2CLK2CLK4
SCHEMBL6643678 0.79 ELANE (0.39) KDRMAP4K4MAP4K2CLK2CLK4
SCHEMBL14968875 0.79 MAPT (0.49) KDRMAP4K4MAP4K2CLK2CLK4
SCHEMBL1901292 0.76 MAP4K4 (0.53) KDRMAP4K4MAP4K2CLK2CLK4
SCHEMBL869609 0.73 KDR (0.54) KDRMAP4K4MAP4K2CLK2CLK4
SCHEMBL15743285 0.73 MAP4K4 (0.50) KDRMAP4K4MAP4K2CLK2CLK4
SCHEMBL11202279 0.72 ESR1 (0.49) ELANE
SCHEMBL3868631 0.72 MAP4K4 (0.57) KDRMAP4K4MAP4K2CLK2CLK4
SCHEMBL14293291 0.72 MAP4K4 (0.53) KDRMAP4K4MAP4K2CLK2CLK4
SCHEMBL15743366 0.72 KDR (0.53) KDRMAP4K4MAP4K2CLK2CLK4

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
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 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 (2 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R KDR 3297/4885MAP4K4 265/4885MAP4K2 244/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R KDR 3297/4885MAP4K4 265/4885MAP4K2 244/4885

“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.