SCHEMBL4934014

SCHEMBL4934014

Cc1cnc(CNC2=NC(=O)/C(=C/c3c[nH]c4ncccc34)S2)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
HASPIN Q8TF76 4/20 0.39
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
CDC7 O00311 7/20 0.39
CHEK1 O14757 1/20 0.38
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 4/20 0.37
MEN1 O00255 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
PIM1 P11309 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
PIM3 Q86V86 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
Hydrochloric Acid SCHEMBL5089678 0.82 ADORA2A (0.44) KMT2AHASPINCCNT1CDK9CDC7
Hydrochloric Acid SCHEMBL5095245 0.82 ADORA2A (0.44) KMT2AHASPINCCNT1CDK9CDC7
Hydrochloric Acid SCHEMBL5089673 0.82 ADORA2A (0.44) KMT2AHASPINCCNT1CDK9CDC7
SCHEMBL4962099 0.81 CDC7 (0.52) KMT2AHASPINCCNT1CDK9CDC7
Hydrochloric Acid SCHEMBL5101117 0.80 HPGD (0.42) KMT2AHASPINCCNT1CDK9CDC7
Hydrochloric Acid SCHEMBL5101111 0.80 HPGD (0.42) KMT2AHASPINCCNT1CDK9CDC7
SCHEMBL4932383 0.80 KMT2A (0.42) KMT2AHASPINCCNT1CDK9CDC7
SCHEMBL4933700 0.80 CDC7 (0.39) KMT2AHASPINCCNT1CDK9CDC7
SCHEMBL4928120 0.79 CHEK1 (0.41) KMT2AHASPINCCNT1CDK9CDC7
Hydrochloric Acid SCHEMBL4967648 0.79 KMT2A (0.41) KMT2AHASPINCCNT1CDK9CDC7

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 KMT2A 741/4885HASPIN 505/4885CCNT1 41/4885

“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.