SCHEMBL5001102

SCHEMBL5001102

COc1ccc(-c2cc(C(=O)N[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)c(NC(=O)Nc3cnccn3)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 7/20 0.43
▸ PBK Q96KB5 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ CHEK1 O14757 2/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ ANO1 Q5XXA6 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CDK2AP1 O14519 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL1563863 0.92 USP30 (0.53) USP30PBKBTKCHEK1PARP1
SCHEMBL4213189 0.91 DYRK1A (0.46) USP30KDM4EPOLBDYRK1AMEN1
SCHEMBL4210048 0.91 CHEK1 (0.44) KDM4EPOLBCHEK1CNR1CNR2
SCHEMBL1562936 0.90 USP30 (0.55) USP30PBKBTKCHEK1HDAC4
SCHEMBL4213212 0.87 CHEK1 (0.52) USP30PBKBTKCHEK1HDAC4
SCHEMBL4994970 0.85 CHEK1 (0.56) USP30CHEK1CDK2AP1
SCHEMBL4702638 0.84 KDM4E (0.42) KDM4EPOLBCHEK1DYRK1ACNR1
SCHEMBL5820429 0.84 USP30 (0.53) USP30PBKBTKCHEK1HDAC4
SCHEMBL4211957 0.83 CHEK1 (0.54) USP30PBKBTKCHEK1PARP1
SCHEMBL4703508 0.83 KDM4E (0.46) KDM4EPOLBCHEK1CNR1CNR2

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 USP30 3894/4885PBK 1268/4885KDM4E 3570/4885

“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.

Send feedback