SCHEMBL4934305

SCHEMBL4934305

O=C1N=C(NCc2ccc(F)c(Cl)c2)S/C1=C\c1c[nH]c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.42
PARP1 P09874 1/20 0.41
KMT2A Q03164 1/20 0.38
HASPIN Q8TF76 4/20 0.37
CDK9 P50750 3/20 0.37
CCNT1 O60563 2/20 0.37
CHEK1 O14757 2/20 0.37
GSK3B P49841 2/20 0.36
PDPK1 O15530 5/20 0.36
KDR P35968 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CDC7 O00311 3/20 0.35
CDK2 P24941 3/20 0.35
CCNE1 P24864 2/20 0.35
DBF4 Q9UBU7 2/20 0.35
PLK4 O00444 1/20 0.34
MAPK13 O15264 1/20 0.34

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
SCHEMBL4930734 0.84 CDC7 (0.40) KMT2AHASPINCDK9CCNT1CHEK1
Hydrochloric Acid SCHEMBL5089673 0.83 ADORA2A (0.44) KMT2AHASPINCDK9CCNT1CHEK1
Hydrochloric Acid SCHEMBL5089678 0.83 ADORA2A (0.44) KMT2AHASPINCDK9CCNT1CHEK1
Hydrochloric Acid SCHEMBL5095245 0.83 ADORA2A (0.44) KMT2AHASPINCDK9CCNT1CHEK1
SCHEMBL4928120 0.83 CHEK1 (0.41) PARP1KMT2AHASPINCDK9CCNT1
SCHEMBL5571297 0.80 GRM4 (0.41) GRM4PARP1KMT2ACDK9CCNT1
SCHEMBL5571291 0.80 GRM4 (0.41) GRM4PARP1KMT2ACDK9CCNT1
SCHEMBL4933700 0.80 CDC7 (0.39) KMT2AHASPINCDK9CCNT1CHEK1
SCHEMBL4932383 0.78 KMT2A (0.42) KMT2AHASPINCDK9CCNT1CHEK1
SCHEMBL4928228 0.78 GSK3B (0.47) KMT2AHASPINCDK9CCNT1CHEK1

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
JP-2008516903-A 2008-05-22 JP claimed
EP-1805175-B1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2008-03-05 EP claimed
US-7247727-B2 Azaindole thiazolinones HOFFMANN-LA ROCHE INC. (US) 2007-07-24 US claimed
EP-1805175-A1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS F. Hoffmann-Roche AG (CH) 2007-07-11 EP claimed
US-20060084674-A1 Azaindole thiazolinones CHEN SHAOQING 2006-04-20 US claimed
WO-2006040049-A1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO claimed
EP-1805175-B1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2008-03-05 EP disclosed
EP-1805175-B1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2008-03-05 EP disclosed
US-7247727-B2 Azaindole thiazolinones HOFFMANN-LA ROCHE INC. (US) 2007-07-24 US disclosed
US-7247727-B2 Azaindole thiazolinones HOFFMANN-LA ROCHE INC. (US) 2007-07-24 US disclosed
US-7247727-B2 Azaindole thiazolinones HOFFMANN-LA ROCHE INC. (US) 2007-07-24 US disclosed
EP-1805175-A1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS F. Hoffmann-Roche AG (CH) 2007-07-11 EP disclosed
US-20060084674-A1 Azaindole thiazolinones CHEN SHAOQING 2006-04-20 US disclosed
WO-2006040049-A1 NOVEL AZAINDOLE THIAZOLINONES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 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-20060084674-A1 Azaindole thiazolinones CDK1, CDK2, CDK12 GRM4 3802/4885PARP1 629/4885KMT2A 741/4885

“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.