SCHEMBL4219033

SCHEMBL4219033

COc1ccc(-c2cc(C(=O)N3CCCNCC3)c(NC(=O)Nc3cnccn3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ CCNC P24863 2/20 0.42
▸ CDK8 P49336 2/20 0.42
▸ CHEK1 O14757 5/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CDK2AP1 O14519 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL4214293 0.82 CHEK1 (0.48) KDM4EPOLBCHEK1RPS6KB1SMN1; SMN2
SCHEMBL4208337 0.82 CHEK1 (0.62) CHEK1CDK2AP1
SCHEMBL4223869 0.81 CHEK1 (0.53) KDM4EPOLBCHEK1CDK2AP1
SCHEMBL5784504 0.80 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4209769 0.80 CHEK1 (0.55) CHEK1CDK2AP1
Hydrochloric Acid SCHEMBL4221917 0.79 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4210074 0.78 CHEK1 (0.54) KDM4EPOLBCHEK1CDK2AP1
SCHEMBL4210048 0.78 CHEK1 (0.44) KDM4EPOLBCHEK1CDK2AP1RAB9A
SCHEMBL4703508 0.78 KDM4E (0.46) KDM4EPOLBCHEK1CYP3A4TSHR
SCHEMBL5001102 0.75 USP30 (0.43) KDM4EPOLBCHEK1CDK2AP1MEN1

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 17 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
EP-1660474-A1 SUBSTITUTED THIOPHENES AND USES THEREOF AstraZeneca AB (SE) 2006-05-31 — — EP disclosed
WO-2005016909-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2005-02-24 — — WO 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 KDM4E 1951/4885POLB 1837/4885CCNC 947/4885
US-20060281666-A1 Substitute thiophenes and uses therof TYMP, TPMT, MGMT KDM4E 3570/4885POLB 3068/4885CCNC 1772/4885

“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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