Sugi Predict

Sugi Predict / Compounds / SCHEMBL4708192

SCHEMBL4708192

SCHEMBL4708192

FC(F)(F)c1cc(Cn2nnc(C3=NCCN3Cc3ccccc3Cl)c2-c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CDC7 O00311 4/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ PRKACA P17612 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ HIPK2 Q9H2X6 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ MKNK2 Q9HBH9 2/20 0.39
▸ GRM2 Q14416 2/20 0.38
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ SLC16A3 O15427 1/20 0.36
▸ SLC16A1 P53985 1/20 0.36
▸ MCTS1 Q9ULC4 1/20 0.36
▸ CNR2 P34972 2/20 0.36

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
SCHEMBL4707422 0.94 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HPGDCDC7MAP4K4
SCHEMBL4707185 0.94 CDC7 (0.37) SMN1; SMN2ALDH1A1HPGDCDC7MAP4K4
SCHEMBL4707796 0.91 CDC7 (0.39) SMN1; SMN2ALDH1A1HPGDCDC7MAP4K4
SCHEMBL4707135 0.89 IDO1 (0.39) ALDH1A1CDC7MAP4K4PIM1PRKACA
SCHEMBL4706657 0.84 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HPGDSLC16A3SLC16A1
SCHEMBL4758977 0.83 GABRA2 (0.37) SMN1; SMN2ALDH1A1HPGDCDC7MAP4K4
SCHEMBL4705897 0.81 PTAFR (0.40) ALDH1A1CDC7MAP4K4PIM1PRKACA
SCHEMBL4705965 0.80 POLB (0.48) SMN1; SMN2ALDH1A1HPGDCDC7MAP4K4
SCHEMBL4705832 0.79 GRM2 (0.38) SMN1; SMN2ALDH1A1HPGDCDC7MAP4K4
SCHEMBL4707214 0.79 CDC7 (0.39) SMN1; SMN2ALDH1A1HPGDCDC7MAP4K4

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 SMN1; SMN2 4876/4885ALDH1A1 1408/4885HPGD 1378/4885

“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.