SCHEMBL4223869

SCHEMBL4223869

COc1ccc(-c2cc(C(=O)NC3CCNCC3)c(NC(=O)Nc3cnccn3)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 17/20 0.53
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HPGDS O60760 1/20 0.46
▸ HTR4 Q13639 1/20 0.45
▸ CDK2AP1 O14519 9/20 0.45

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
SCHEMBL4210074 0.95 CHEK1 (0.54) CHEK1KDM4EPOLBCDK2AP1
SCHEMBL4209769 0.90 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL5784504 0.90 CHEK1 (0.55) CHEK1CDK2AP1
Hydrochloric Acid SCHEMBL4221917 0.89 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4703508 0.88 KDM4E (0.46) CHEK1KDM4EPOLBHPGDSCDK2AP1
SCHEMBL4706363 0.88 KDM4E (0.46) CHEK1KDM4EPOLBHPGDSHTR4
SCHEMBL4218235 0.87 CHEK1 (0.73) CHEK1KDM4ECDK2AP1
SCHEMBL5800086 0.86 CHEK1 (0.45) CHEK1KDM4EPOLBHPGDSHTR4
SCHEMBL4213189 0.84 DYRK1A (0.46) KDM4EPOLB
SCHEMBL4702638 0.83 KDM4E (0.42) CHEK1KDM4EPOLBHPGDSCDK2AP1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 — — US claimed
EP-1660474-B1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2008-10-29 — — EP claimed
US-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 — — US claimed
JP-2007502308-A — — 2007-02-08 — — JP claimed
US-20060281666-A1 Substitute thiophenes and uses therof ASTRAZENECA AB (SE) 2006-12-14 — — US claimed
EP-1660474-A1 SUBSTITUTED THIOPHENES AND USES THEREOF AstraZeneca AB (SE) 2006-05-31 — — EP claimed
WO-2005016909-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2005-02-24 — — WO 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-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
EP-1660474-B1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2008-10-29 — — EP 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 297/4885KDM4E 1951/4885POLB 1837/4885
US-20060281666-A1 Substitute thiophenes and uses therof TYMP, TPMT, MGMT CHEK1 602/4885KDM4E 3570/4885POLB 3068/4885

“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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