SCHEMBL10076340

SCHEMBL10076340

[C-]#[N+]c1cnc(NC(=O)Nc2cc(Cl)c(OC)cc2OCC2CNCCO2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 17/20 0.60
▸ FECH P22830 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ AURKA O14965 3/20 0.47
▸ FLT4 P35916 3/20 0.47
▸ GSK3B P49841 3/20 0.47
▸ RPS6KA3 P51812 3/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ MAPKAPK2 P49137 2/20 0.47
▸ IKBKB O14920 1/20 0.47
▸ DCLK1 O15075 1/20 0.47
▸ RPS6KA5 O75582 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ RET P07949 1/20 0.47
▸ PHKG2 P15735 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ IRAK1 P51617 1/20 0.47
▸ CSNK1G2 P78368 1/20 0.47
▸ TAOK1 Q7L7X3 1/20 0.47

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
SCHEMBL10076339 0.91 CHEK1 (0.65) CHEK1FECHKCNH2AURKAFLT4
SCHEMBL305717 0.90 CHEK1 (0.74) CHEK1FECHKCNH2AURKAFLT4
SCHEMBL305718 0.90 CHEK1 (0.74) CHEK1FECHKCNH2AURKAFLT4
SCHEMBL305187 0.87 CHEK1 (0.74) CHEK1FECHKCNH2AURKAFLT4
SCHEMBL305186 0.87 CHEK1 (0.74) CHEK1FECHKCNH2AURKAFLT4
SCHEMBL305673 0.83 CHEK1 (0.82) CHEK1FECHKCNH2AURKAFLT4
SCHEMBL305499 0.83 CHEK1 (0.79) CHEK1FECHKCNH2AURKAFLT4
SCHEMBL304855 0.83 CHEK1 (0.79) CHEK1FECHKCNH2AURKAFLT4
SCHEMBL304856 0.83 CHEK1 (0.79) CHEK1FECHKCNH2AURKAFLT4
SCHEMBL306053 0.83 CHEK1 (0.82) CHEK1FECHKCNH2AURKAFLT4

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 2 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
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 — — US 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 1/4885FECH 2006/4885KCNH2 3943/4885

“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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