SCHEMBL1542823

SCHEMBL1542823

COc1c(C(=O)NCc2ccc(N(C)C)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
TARBP2 Q15633 1/20 0.43
DCLK1 O15075 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
RET P07949 1/20 0.40
FER P16591 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MAPK1 P28482 1/20 0.40
FLT4 P35916 1/20 0.40
FLT3 P36888 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40
NEK4 P51957 1/20 0.40
CSNK1G2 P78368 1/20 0.40
MELK Q14680 1/20 0.40
NTRK3 Q16288 1/20 0.40

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
SCHEMBL1542439 0.90 CYP3A4 (0.51) CYP3A4KDM4EALDH1A1MEN1RAB9A
SCHEMBL1542596 0.87 CYP3A4 (0.49) CYP3A4MAPK1GSK3BCLK4GAA
SCHEMBL2127583 0.86 CYP3A4 (0.50) CYP3A4MAPK1KDM4EALDH1A1NR1H4
SCHEMBL2127832 0.83 CYP3A4 (0.49) CYP3A4KDM4EALDH1A1HTTGAA
SCHEMBL1542669 0.81 CYP3A4 (0.54) CYP3A4ALDH1A1MEN1NPC1RAB9A
SCHEMBL1543035 0.78 CYP3A4 (0.61) CYP3A4MAPK1KDM4EALDH1A1NR1H4
SCHEMBL1542671 0.78 CYP3A4 (0.44) CYP3A4GSK3BEZH2
SCHEMBL1542653 0.78 CYP3A4 (0.47) CYP3A4NPC1RAB9ATP53RXFP1
SCHEMBL2128170 0.77 CYP3A4 (0.53) CYP3A4MAPK1KDM4EALDH1A1HTT
SCHEMBL1542824 0.77 CYP3A4 (0.52) CYP3A4KDM4EALDH1A1HTTNR1H4

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
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US claimed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP claimed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed

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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CYP3A4 528/4885TARBP2 620/4885DCLK1 4497/4885

“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.