SCHEMBL4933700

SCHEMBL4933700

Cc1cccc(Cl)c1CNC1=NC(=O)/C(=C/c2c[nH]c3ncccc23)S1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.39
KMT2A Q03164 1/20 0.38
CHEK1 O14757 1/20 0.37
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
HASPIN Q8TF76 4/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
PIM1 P11309 3/20 0.35
GSK3B P49841 2/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CYP3A4 P08684 1/20 0.34
CD38 P28907 1/20 0.34
PIM2 Q9P1W9 2/20 0.33
PIM3 Q86V86 1/20 0.33

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 0.85 CHEK1 (0.41) CDC7KMT2ACHEK1HASPINCCNT1
SCHEMBL4962099 0.82 CDC7 (0.52) CDC7KMT2ACHEK1SRCHASPIN
Hydrochloric Acid SCHEMBL5089678 0.80 ADORA2A (0.44) CDC7KMT2ACHEK1ABL1SRC
Hydrochloric Acid SCHEMBL5095245 0.80 ADORA2A (0.44) CDC7KMT2ACHEK1ABL1SRC
Hydrochloric Acid SCHEMBL5089673 0.80 ADORA2A (0.44) CDC7KMT2ACHEK1ABL1SRC
SCHEMBL4934014 0.80 KMT2A (0.40) CDC7KMT2ACHEK1HASPINCCNT1
SCHEMBL4934305 0.80 GRM4 (0.42) CDC7KMT2ACHEK1ABL1SRC
SCHEMBL4930734 0.80 CDC7 (0.40) CDC7KMT2ACHEK1HASPINCCNT1
SCHEMBL5573333 0.79 ABL1 (0.35) KMT2AABL1SRCCYP3A4CD38
SCHEMBL5573335 0.79 ABL1 (0.35) KMT2AABL1SRCCYP3A4CD38

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 48/4885KMT2A 741/4885CHEK1 58/4885

“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.