SCHEMBL4707969

SCHEMBL4707969

O=C(c1ccccc1Cl)c1[nH]ncc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.42
MAP4K4 O95819 3/20 0.42
PRKACA P17612 3/20 0.42
CDK2 P24941 3/20 0.42
GSK3B P49841 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
MKNK2 Q9HBH9 3/20 0.42
PIM1 P11309 2/20 0.42
HIPK2 Q9H2X6 2/20 0.42
RORB Q92753 5/20 0.40
RORC P51449 4/20 0.40
ADORA3 P0DMS8 4/20 0.39
CRHR1 P34998 1/20 0.38
AURKA O14965 2/20 0.37
MAPK13 O15264 2/20 0.37
DAPK3 O43293 2/20 0.37
ROCK2 O75116 2/20 0.37
RPS6KA5 O75582 2/20 0.37
PRKD3 O94806 2/20 0.37
PRKCG P05129 2/20 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
SCHEMBL4757295 0.88 RORB (0.51) RORBRORCGRM2ALDH1A1GAA
SCHEMBL4708496 0.87 RORB (0.40) CDC7MAP4K4PRKACACDK2GSK3B
SCHEMBL4637956 0.84 ALDH1A1 (0.46) CDC7MAP4K4PRKACACDK2GSK3B
SCHEMBL4708172 0.82 RORB (0.46) CDC7RORBRORCMAPK1GRM2
SCHEMBL4707172 0.82 RORB (0.46) RORBRORCADORA3GRM2ALDH1A1
SCHEMBL4708046 0.81 RORB (0.42) RORBRORCGRM2TACR1
SCHEMBL4707650 0.81 RORB (0.41) CDC7RORBRORCADORA3GRM2
SCHEMBL4705450 0.81 RORB (0.42) CDC7MAP4K4PRKACACDK2GSK3B
SCHEMBL4708690 0.80 RORB (0.40) CDC7RORBRORCALDH1A1GAA
SCHEMBL4707652 0.80 CDC7 (0.44) CDC7MAP4K4PRKACACDK2GSK3B

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
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 CDC7 2004/4885MAP4K4 1638/4885PRKACA 2875/4885

“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.