SCHEMBL4930734

SCHEMBL4930734

O=C1N=C(NCc2ccc(F)cc2Cl)S/C1=C\c1c[nH]c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.40
KDM4E B2RXH2 1/20 0.39
GSK3B P49841 2/20 0.38
KMT2A Q03164 1/20 0.38
CISD1 Q9NZ45 1/20 0.37
HASPIN Q8TF76 4/20 0.37
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
CHEK1 O14757 1/20 0.37
P2RX7 Q99572 6/20 0.35
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 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
SCHEMBL4928120 0.88 CHEK1 (0.41) CDC7KMT2AHASPINCCNT1CDK9
SCHEMBL4934305 0.84 GRM4 (0.42) CDC7GSK3BKMT2AHASPINCCNT1
SCHEMBL5573902 0.80 PIK3CA (0.38) KDM4ECISD1P2RX7
SCHEMBL5573899 0.80 PIK3CA (0.38) KDM4ECISD1P2RX7
SCHEMBL4933700 0.80 CDC7 (0.39) CDC7GSK3BKMT2AHASPINCCNT1
SCHEMBL4928228 0.80 GSK3B (0.47) CDC7KDM4EGSK3BKMT2ACISD1
Hydrochloric Acid SCHEMBL5089673 0.80 ADORA2A (0.44) CDC7GSK3BKMT2AHASPINCCNT1
Hydrochloric Acid SCHEMBL5095245 0.80 ADORA2A (0.44) CDC7GSK3BKMT2AHASPINCCNT1
Hydrochloric Acid SCHEMBL5089678 0.80 ADORA2A (0.44) CDC7GSK3BKMT2AHASPINCCNT1
SCHEMBL4932383 0.78 KMT2A (0.42) CDC7GSK3BKMT2AHASPINCCNT1

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 CDC7 48/4885KDM4E 1747/4885GSK3B 438/4885

“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.