SCHEMBL1563829

SCHEMBL1563829

CC(C)(C)C1[C@@H](NC(=O)c2cc(Br)sc2NC(N)=O)CCCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.44
▸ CDK2AP1 O14519 5/20 0.37

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
SCHEMBL1564531 0.97 CHEK1 (0.42) CHEK1CDK2AP1
SCHEMBL1563966 0.86 CHEK1 (0.42) CHEK1CDK2AP1
SCHEMBL1406007 0.85 CHEK1 (0.38) CHEK1
SCHEMBL1562835 0.85 CHEK1 (0.63) CHEK1CDK2AP1
SCHEMBL1563538 0.83 CHEK1 (0.62) CHEK1CDK2AP1
SCHEMBL5004723 0.82 CHEK1 (0.53) CHEK1CDK2AP1
SCHEMBL4994950 0.82 CHEK1 (0.53) CHEK1CDK2AP1
SCHEMBL4991815 0.80 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL1563036 0.80 USP30 (0.40) CHEK1
SCHEMBL4994981 0.79 CHEK1 (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305671-A1 Thiophene and thiazole derivatives as CHK1 inhibitors AstraZeneca AB (SE) 2011-04-06 — — EP disclosed
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
US-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 — — US disclosed
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 — — US disclosed
US-20060281666-A1 Substitute thiophenes and uses therof ASTRAZENECA AB (SE) 2006-12-14 — — 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 (3 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 222/4885
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF TPMT, ABCG2, TYMP CHEK1 297/4885CDK2AP1 2722/4885
US-20060281666-A1 Substitute thiophenes and uses therof TYMP, TPMT, MGMT CHEK1 602/4885CDK2AP1 2225/4885

“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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