SCHEMBL5001107

SCHEMBL5001107

COc1ccc(-c2cc(C(=O)N[C@H]3CCCCN(C(=O)O)C3C(C)(C)C)c(NC(=O)Nc3cnccn3)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 1/20 0.36
▸ CHEK1 O14757 8/20 0.36
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CDK2AP1 O14519 1/20 0.34
▸ KCNQ1 P51787 1/20 0.34

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
SCHEMBL1563866 0.92 CHEK1 (0.43) KDM4ECHEK1CDK5CDK5R1CDK2AP1
SCHEMBL1562937 0.90 CHEK1 (0.44) KDM4ECHEK1CDK5CDK5R1CDK2AP1
SCHEMBL4994981 0.85 CHEK1 (0.52) CHEK1CDK2AP1
SCHEMBL4210048 0.84 CHEK1 (0.44) KDM4EPOLBCHEK1CDK2AP1
SCHEMBL4703508 0.83 KDM4E (0.46) KDM4EPOLBCHEK1MEN1KMT2A
SCHEMBL5004723 0.82 CHEK1 (0.53) CHEK1CDK2AP1
SCHEMBL4994950 0.82 CHEK1 (0.53) CHEK1CDK2AP1
SCHEMBL5001102 0.81 USP30 (0.43) KDM4EPOLBCHEK1MEN1KMT2A
SCHEMBL5001067 0.81 CHEK1 (0.54) CHEK1CDK2AP1
SCHEMBL4213189 0.80 DYRK1A (0.46) KDM4EPOLBMEN1KMT2AMAPT

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 KDM4E 3570/4885POLB 3068/4885LMNA 4609/4885

“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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