SCHEMBL4928228

SCHEMBL4928228

O=C1N=C(NCCc2cccc(F)c2)S/C1=C\c1c[nH]c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.47
CDC7 O00311 3/20 0.41
CDK2 P24941 3/20 0.41
CCNE1 P24864 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
KMT2A Q03164 1/20 0.38
DYRK1A Q13627 2/20 0.37
CLK1 P49759 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
CHEK1 O14757 1/20 0.37
GBA1 P04062 1/20 0.37
CSNK2A2 P19784 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
Hydrochloric Acid SCHEMBL5089678 0.80 ADORA2A (0.44) GSK3BCDC7CDK2CCNE1DBF4
Hydrochloric Acid SCHEMBL5089673 0.80 ADORA2A (0.44) GSK3BCDC7CDK2CCNE1DBF4
Hydrochloric Acid SCHEMBL5095245 0.80 ADORA2A (0.44) GSK3BCDC7CDK2CCNE1DBF4
SCHEMBL4930734 0.80 CDC7 (0.40) GSK3BCDC7CDK2ROCK2MAP4K4
SCHEMBL5570153 0.79 CISD1 (0.40) CISD1KMT2AGPR84GBA1CSNK2A2
SCHEMBL5570152 0.79 CISD1 (0.40) CISD1KMT2AGPR84GBA1CSNK2A2
SCHEMBL4934305 0.78 GRM4 (0.42) GSK3BCDC7CDK2CCNE1DBF4
SCHEMBL4932383 0.75 KMT2A (0.42) GSK3BCDC7MAP4K4PIM1PRKACA
Hydrochloric Acid SCHEMBL4967648 0.74 KMT2A (0.41) GSK3BCDC7MAP4K4PIM1PRKACA
SCHEMBL4928120 0.74 CHEK1 (0.41) CDC7CDK2CCNE1DBF4KMT2A

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 GSK3B 438/4885CDC7 48/4885CDK2 2/4885

“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.