SCHEMBL5554768

SCHEMBL5554768

O=C(Nc1cnccn1)Nc1sc(-c2ccccc2)cc1C(=O)N[C@H]1CCCCN(C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 16/20 0.51
▸ CDK2AP1 O14519 5/20 0.46
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41

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
SCHEMBL5556375 0.98 CHEK1 (0.54) CHEK1CDK2AP1
SCHEMBL4210048 0.91 CHEK1 (0.44) CHEK1CDK2AP1
SCHEMBL1563863 0.90 USP30 (0.53) CHEK1CDK2AP1
SCHEMBL1562936 0.87 USP30 (0.55) CHEK1CDK2AP1
SCHEMBL13951997 0.85 CHEK1 (0.44) CHEK1CDK2AP1
SCHEMBL4706488 0.84 CHEK1 (0.56) CHEK1CDK2AP1
SCHEMBL1563043 0.84 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL4702699 0.83 CHEK1 (0.54) CHEK1CDK2AP1
SCHEMBL1563514 0.83 CHEK1 (0.67) CHEK1CDK2AP1
SCHEMBL5554681 0.82 CHEK1 (0.76) CHEK1CDK2AP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 CHEK1 1/4885CDK2AP1 222/4885CDK5 278/4885

“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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