SCHEMBL12106915

SCHEMBL12106915

CCOC(=O)c1c(/C=C/N(C)C)nc(SC)nc1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 7/20 0.38
LMNA P02545 1/20 0.38
SYK P43405 2/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37

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
SCHEMBL12103798 0.96 TP53 (0.39) TP53MAPK1HTTMAPTLMNA
SCHEMBL12103452 0.91 TP53 (0.51) TP53MAPK1HTTMAPTLMNA
SCHEMBL1298527 0.87 PPARG (0.38) MAPK1MAPTLMNASYKGABRP
SCHEMBL1298526 0.87 PPARG (0.38) MAPK1MAPTLMNASYKGABRP
SCHEMBL12106816 0.85 MAPT (0.41) TP53MAPK1HTTMAPTLMNA
SCHEMBL19245972 0.84 MAPK1 (0.39) TP53MAPK1HTTMAPTLMNA
SCHEMBL1298125 0.83 MAPK1 (0.45) TP53MAPK1HTTMAPTLMNA
SCHEMBL12103419 0.83 MAPT (0.39) TP53MAPK1HTTMAPTLMNA
SCHEMBL18351982 0.83 SYK (0.48) TP53MAPK1HTTMAPTLMNA
SCHEMBL18352002 0.80 MAPT (0.40) MAPK1HTTMAPTLMNASYK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404677-B2 Kinase inhibitors GENOSCO (US) 2013-03-26 US disclosed
US-20110269739-A1 KINASE INHIBITORS OSCOTEC, INC. (KR) 2011-11-03 US disclosed
WO-2011053861-A1 KINASE INHIBITORS GENOSCO (US) 2011-05-05 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-20110269739-A1 KINASE INHIBITORS JAK1, LCK, MAP3K20 TP53 679/4885MAPK1 28/4885HTT 1465/4885

“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.