SCHEMBL5001091

SCHEMBL5001091

COc1ccc(-c2cc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C3)c(NC(N)=O)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 15/20 0.55
▸ ALDH1A1 P00352 1/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ CDK2AP1 O14519 2/20 0.47
▸ USP30 Q70CQ3 3/20 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
SCHEMBL5004721 0.95 CHEK1 (0.59) CHEK1PARP1CDK2AP1USP30
SCHEMBL4994947 0.95 CHEK1 (0.59) CHEK1PARP1CDK2AP1USP30
SCHEMBL4219757 0.95 CHEK1 (0.59) CHEK1PARP1CDK2AP1USP30
SCHEMBL4213197 0.95 CHEK1 (0.57) CHEK1ALDH1A1CDK2AP1
SCHEMBL4994970 0.94 CHEK1 (0.56) CHEK1CDK2AP1USP30
SCHEMBL4219520 0.93 CHEK1 (0.59) CHEK1CDK2AP1
SCHEMBL4218163 0.89 CHEK1 (0.60) CHEK1CDK2AP1
SCHEMBL4991807 0.89 CHEK1 (0.61) CHEK1PARP1CDK2AP1USP30
SCHEMBL4210886 0.88 CHEK1 (0.55) CHEK1PARP1CDK2AP1
SCHEMBL5001062 0.88 CHEK1 (0.58) CHEK1CDK2AP1USP30

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-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 — — US claimed
US-20060281666-A1 Substitute thiophenes and uses therof ASTRAZENECA AB (SE) 2006-12-14 — — US claimed
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 — — US 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-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 — — US disclosed
US-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 — — 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 (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-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF TPMT, ABCG2, TYMP CHEK1 297/4885ALDH1A1 266/4885PARP1 1720/4885
US-20060281666-A1 Substitute thiophenes and uses therof TYMP, TPMT, MGMT CHEK1 602/4885ALDH1A1 876/4885PARP1 2347/4885

“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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