SCHEMBL1406017

SCHEMBL1406017

COC(=O)c1sc(-c2cccc(F)c2)cc1NC(N)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.71
KDM4E B2RXH2 3/20 0.66
MAPT P10636 5/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 2/20 0.65
IKBKB O14920 6/20 0.63
HPGD P15428 2/20 0.62
HTT P42858 1/20 0.59
ATM Q13315 1/20 0.59
MELK Q14680 3/20 0.56
PLK4 O00444 1/20 0.56
CHEK1 O14757 1/20 0.56
GAK O14976 1/20 0.56
JAK2 O60674 1/20 0.56
ULK1 O75385 1/20 0.56
RPS6KA4 O75676 1/20 0.56
STK10 O94804 1/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56

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
SCHEMBL7057264 0.90 MAPT (0.80) POLBKDM4EMAPTALDH1A1LMNA
SCHEMBL7054758 0.89 KDM4E (0.70) POLBKDM4EMAPTALDH1A1LMNA
SCHEMBL3075700 0.86 POLB (0.71) POLBMAPTIKBKBMELKPLK4
SCHEMBL2879296 0.83 POLB (0.61) POLBKDM4EMAPTALDH1A1LMNA
SCHEMBL1405912 0.82 IKBKB (0.78) POLBKDM4EMAPTALDH1A1LMNA
SCHEMBL1563671 0.81 NPSR1 (0.70) KDM4EMAPTALDH1A1LMNATP53
SCHEMBL5368759 0.79 MAPT (1.00) POLBKDM4EMAPTALDH1A1LMNA
SCHEMBL13715768 0.79 KDM4E (0.74) POLBKDM4EMAPTALDH1A1LMNA
SCHEMBL7059470 0.79 IKBKB (0.69) POLBKDM4EMAPTALDH1A1LMNA
SCHEMBL31532550 0.78 CHEK1 (0.56) POLBKDM4EMAPTTP53IKBKB

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 7 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
EP-1732920-B1 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS ASTRAZENECA AB (SE) 2011-03-09 EP disclosed
CN-100584840-C Substituted heterocyclic compounds and uses thereof ASTRAZENECA AB 2010-01-27 CN disclosed
CN-1922172-A Substituted heterocyclic compounds and uses thereof ASTRAZENECA AB (SE) 2007-02-28 CN 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
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 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 (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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 POLB 3062/4885KDM4E 713/4885MAPT 3514/4885

“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.