SCHEMBL4583577

SCHEMBL4583577

Cc1c(I)c2cccnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.64
LATS1 O95835 1/20 0.48
CCKAR P32238 1/20 0.47
CYP2C19 P33261 1/20 0.46
HTR6 P50406 2/20 0.45
MET P08581 1/20 0.43

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
SCHEMBL1773016 0.86 PTGDR2 (0.67) PTGDR2LATS1CCKARCYP2C19HTR6
SCHEMBL4583261 0.83 PTGDR2 (0.51) PTGDR2LATS1CYP2C19HTR6MET
SCHEMBL20005127 0.83 PTGDR2 (0.57) PTGDR2LATS1CCKARCYP2C19HTR6
SCHEMBL15635129 0.83 PTGDR2 (0.64) PTGDR2LATS1CCKARCYP2C19HTR6
Formamide SCHEMBL28651025 0.80 PTGDR2 (0.60) PTGDR2LATS1CCKARCYP2C19HTR6
SCHEMBL17827487 0.80 PTGDR2 (0.63) PTGDR2LATS1CCKARCYP2C19HTR6
SCHEMBL15154929 0.79 PTGDR2 (0.45) PTGDR2LATS1CCKARHTR6
SCHEMBL1941139 0.78 PTGDR2 (1.00) PTGDR2CCKAR
SCHEMBL16655202 0.78 HTR6 (0.47) PTGDR2HTR6
SCHEMBL5136369 0.78 PTGDR2 (0.51) PTGDR2LATS1CCKARCYP2C19HTR6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382244-B2 7-azaindole-2,7-naphthyridine derivative for the treatment of tumours MERCK PATENT GMBH (DE) 2016-07-05 US disclosed
US-20150252041-A1 7-AZAINDOLE-2,7-NAPHTHYRIDINE DERIVATIVE FOR THE TREATMENT OF TUMOURS MERCK PATENT GMBH (DE) 2015-09-10 US disclosed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 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-20150252041-A1 7-AZAINDOLE-2,7-NAPHTHYRIDINE DERIVATIVE FOR THE TREATMENT OF TUMOURS MKI67, TK2, TYMP PTGDR2 1199/4885LATS1 129/4885CCKAR 4461/4885

“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.