SCHEMBL4216732

SCHEMBL4216732

COc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c(NC(N)=O)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.60
ALDH1A1 P00352 4/20 0.55
PKM P14618 1/20 0.54
HPGD P15428 2/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL4209779 0.88 CHEK1 (0.77) CHEK1MAPT
SCHEMBL4206749 0.84 CHEK1 (0.65) CHEK1ALDH1A1HPGDKDM4E
SCHEMBL4215417 0.83 CHEK1 (0.70) CHEK1MAPTKMT2AMEN1
SCHEMBL13951992 0.82 CHEK1 (0.56) CHEK1ALDH1A1KMT2AMEN1
SCHEMBL4208133 0.81 CHEK1 (0.67) CHEK1
SCHEMBL4223830 0.79 CHEK1 (0.63) CHEK1ALDH1A1PKMHPGDKDM4E
SCHEMBL4224511 0.79 CHEK1 (0.63) CHEK1MAPTKMT2A
SCHEMBL4206514 0.78 CHEK1 (0.60) CHEK1ALDH1A1PKMHPGDKMT2A
SCHEMBL4219794 0.78 CHEK1 (0.62) CHEK1ALDH1A1PKMHPGDKMT2A
SCHEMBL4218805 0.78 CHEK1 (0.73) CHEK1KMT2AMEN1

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 18 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
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
CN-1867557-A Substitute thiophenes and uses therof ASTRAZENECA AB (SE) 2006-11-22 CN 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
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
WO-2007105854-A1 NOVEL LIPOIC ACID CONJUGATED COMPOUNDS AND SKIN EXTERNAL APPLICATIONS CONTAINING THEREOF HAN-BUL COSMETICS CO., LTD. (KR) 2007-09-20 WO disclosed
US-20060281666-A1 Substitute thiophenes and uses therof ASTRAZENECA AB (SE) 2006-12-14 US disclosed
CN-1867557-A Substitute thiophenes and uses therof ASTRAZENECA AB (SE) 2006-11-22 CN 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 CHEK1 297/4885ALDH1A1 266/4885PKM 1577/4885
US-20060281666-A1 Substitute thiophenes and uses therof TYMP, TPMT, MGMT CHEK1 602/4885ALDH1A1 876/4885PKM 3035/4885

“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.