SCHEMBL5000963

SCHEMBL5000963

CCN(CC)CCOc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(N)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 6/20 0.54
▸ CDK2AP1 O14519 4/20 0.54
▸ USP30 Q70CQ3 5/20 0.48
▸ PARP1 P09874 1/20 0.43
▸ PBK Q96KB5 1/20 0.43
▸ HDAC4 P56524 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ ANO1 Q5XXA6 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40

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
SCHEMBL5007408 0.91 CHEK1 (0.68) CHEK1CDK2AP1USP30
SCHEMBL4211991 0.91 CHEK1 (0.68) CHEK1CDK2AP1USP30
SCHEMBL4997512 0.91 CHEK1 (0.68) CHEK1CDK2AP1USP30
SCHEMBL4214970 0.90 CHEK1 (0.57) CHEK1CDK2AP1
SCHEMBL5000956 0.89 CHEK1 (0.57) CHEK1CDK2AP1USP30PARP1PBK
Trifluoroacetic Acid SCHEMBL4210289 0.87 CHEK1 (0.63) CHEK1CDK2AP1USP30
Trifluoroacetic Acid SCHEMBL5001265 0.87 CHEK1 (0.63) CHEK1CDK2AP1USP30
SCHEMBL4211373 0.85 CHEK1 (0.69) CHEK1CDK2AP1USP30PARP1
SCHEMBL4212172 0.84 USP30 (0.52) CHEK1USP30PARP1PBKHDAC4
SCHEMBL4213212 0.83 CHEK1 (0.52) CHEK1CDK2AP1USP30PARP1PBK

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-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 (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-20060281666-A1 Substitute thiophenes and uses therof TYMP, TPMT, MGMT CHEK1 602/4885CDK2AP1 2225/4885USP30 3894/4885

“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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