SCHEMBL1127242

SCHEMBL1127242

NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCN(C(=O)O)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 0.68
▸ MELK Q14680 3/20 0.68
▸ PLK4 O00444 1/20 0.68
▸ GAK O14976 1/20 0.68
▸ JAK2 O60674 1/20 0.68
▸ ULK1 O75385 1/20 0.68
▸ RPS6KA4 O75676 1/20 0.68
▸ STK10 O94804 1/20 0.68
▸ PRKD3 O94806 1/20 0.68
▸ MAP4K4 O95819 1/20 0.68
▸ PAK4 O96013 1/20 0.68
▸ ABL1 P00519 1/20 0.68
▸ EGFR P00533 1/20 0.68
▸ LCK P06239 1/20 0.68
▸ FYN P06241 1/20 0.68
▸ FES P07332 1/20 0.68
▸ YES1 P07947 1/20 0.68
▸ LYN P07948 1/20 0.68
▸ RET P07949 1/20 0.68
▸ HCK P08631 1/20 0.68

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
SCHEMBL31532631 1.00 CHEK1 (0.68) CHEK1MELKPLK4GAKJAK2
SCHEMBL20305897 0.89 CHEK1 (0.69) CHEK1MELKPLK4GAKJAK2
SCHEMBL12649363 0.88 CHEK1 (0.62) CHEK1MELKPLK4GAKJAK2
SCHEMBL31532687 0.88 CHEK1 (0.62) CHEK1MELKPLK4GAKJAK2
SCHEMBL1127482 0.88 CHEK1 (0.55) CHEK1MELKPLK4GAKJAK2
SCHEMBL1127833 0.87 CHEK1 (0.51) CHEK1MELKPLK4GAKJAK2
SCHEMBL5551102 0.86 CHEK1 (0.57) CHEK1MELKPLK4GAKJAK2
SCHEMBL31532532 0.86 CHEK1 (0.62) CHEK1MELKPLK4GAKJAK2
SCHEMBL31532628 0.86 CHEK1 (0.62) CHEK1MELKPLK4GAKJAK2
SCHEMBL31532650 0.86 CHEK1 (0.79) CHEK1MELKPLK4GAKJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112144-A1 METHODS OF PREPARING SUBSTITUTED HETEROCYCLES ASTRAZENECA AB (SE) 2011-05-12 — — US disclosed
EP-2305671-A1 Thiophene and thiazole derivatives as CHK1 inhibitors AstraZeneca AB (SE) 2011-04-06 — — EP disclosed
EP-1732920-B1 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS ASTRAZENECA AB (SE) 2011-03-09 — — EP disclosed
EP-2283012-A1 METHODS OF PREPARING SUBSTITUTED HETEROCYCLES AstraZeneca AB (SE) 2011-02-16 — — EP disclosed
WO-2009133389-A1 METHODS OF PREPARING SUBSTITUTED HETEROCYCLES ASTRAZENECA AB (SE) 2009-11-05 — — WO disclosed
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 — — US disclosed
EP-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 — — EP disclosed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 — — 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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 CHEK1 1/4885MELK 259/4885PLK4 84/4885
US-20110112144-A1 METHODS OF PREPARING SUBSTITUTED HETEROCYCLES HCCS, DPYD, TYMP CHEK1 80/4885MELK 3335/4885PLK4 2749/4885

“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.

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