SCHEMBL1564458

SCHEMBL1564458

COC(=O)c1ccsc1NC(=O)NC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 3/20 0.53
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CNR2 P34972 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK10 P53779 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX12 P18054 1/20 0.46
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL5096597 0.83 PTK2 (0.56) KMT2ASMN1; SMN2NPC1RAB9AMAPK10
SCHEMBL1406270 0.78 PKM (0.58) KMT2AMEN1SMN1; SMN2KDM4ENPC1
SCHEMBL1564206 0.76 KDM4E (0.39) KMT2ASMN1; SMN2KDM4ECNR2L3MBTL1
SCHEMBL11578842 0.76 KMT2A (0.69) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL13789666 0.75 KMT2A (0.63) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL4066836 0.74 KMT2A (0.67) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL5981106 0.74 PTK2 (0.46) KMT2AMAPK10ALDH1A1MAPTHTT
SCHEMBL1703720 0.74 KMT2A (0.66) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL16838134 0.72 KMT2A (0.63) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL7930548 0.72 KMT2A (0.63) KMT2AMEN1SMN1; SMN2KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305671-A1 Thiophene and thiazole derivatives as CHK1 inhibitors AstraZeneca AB (SE) 2011-04-06 EP 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
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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 EP 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-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 WO 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 (3 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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 KMT2A 2078/4885MEN1 3068/4885SMN1; SMN2 4643/4885
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF TPMT, ABCG2, TYMP KMT2A 2923/4885MEN1 1076/4885SMN1; SMN2 3885/4885
US-20060281666-A1 Substitute thiophenes and uses therof TYMP, TPMT, MGMT KMT2A 3716/4885MEN1 1011/4885SMN1; SMN2 2683/4885

“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.