SCHEMBL304818

SCHEMBL304818

Cc1ccc(OCC2CN(C(=O)OC(C)(C)C)CCO2)c(NC(=O)Nc2cnc(C#N)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.52
▸ CHEK2 O96017 1/20 0.49
▸ AKT1 P31749 1/20 0.49
▸ RPS6KA3 P51812 3/20 0.48
▸ SRPK1 Q96SB4 3/20 0.48
▸ MAP4K4 O95819 2/20 0.48
▸ RET P07949 2/20 0.48
▸ FLT4 P35916 2/20 0.48
▸ CLK2 P49760 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ IRAK1 P51617 2/20 0.48
▸ BRSK1 Q8TDC3 2/20 0.48
▸ MAP4K5 Q9Y4K4 2/20 0.48
▸ IKBKB O14920 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ DCLK1 O15075 1/20 0.48
▸ RPS6KA5 O75582 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ PHKG2 P15735 1/20 0.48
▸ CDK2 P24941 1/20 0.48

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
SCHEMBL305621 0.87 CHEK1 (0.54) CHEK1CHEK2AKT1RPS6KA3SRPK1
SCHEMBL304825 0.87 CHEK1 (0.54) CHEK1CHEK2AKT1RPS6KA3SRPK1
SCHEMBL305570 0.80 CHEK1 (0.63) CHEK1CHEK2AKT1RPS6KA3SRPK1
Hydrochloric Acid SCHEMBL306016 0.79 CHEK1 (0.62) CHEK1CHEK2AKT1RPS6KA3SRPK1
SCHEMBL306800 0.79 CHEK1 (0.67) CHEK1CHEK2AKT1RPS6KA3SRPK1
SCHEMBL306799 0.79 CHEK1 (0.67) CHEK1CHEK2AKT1RPS6KA3SRPK1
SCHEMBL12534439 0.78 CHEK1 (0.53) CHEK1RPS6KA3SRPK1MAP4K4RET
SCHEMBL304744 0.78 CHEK1 (0.53) CHEK1RPS6KA3SRPK1MAP4K4RET
SCHEMBL2031191 0.77 SCN9A (0.47) CHEK1CHEK2IRAK1
SCHEMBL13397358 0.77 SCN9A (0.47) CHEK1CHEK2IRAK1

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-8093244-B2 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS CORPORATION (US) 2012-01-10 — — US disclosed
EP-2330105-A1 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS Corporation (US) 2011-06-08 — — EP disclosed
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 — — US disclosed
EP-1869020-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS Corporation (US) 2007-12-26 — — EP disclosed
WO-2006105262-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS CORPORATION (US) 2006-10-05 — — 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-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 CHEK1, CHEK2, PCNA CHEK1 1/4885CHEK2 2/4885AKT1 1469/4885

“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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