SCHEMBL15719787

SCHEMBL15719787

O=[C]c1ccn2nccc2n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
SCN5A Q14524 1/20 0.39
OGA O60502 1/20 0.38
TGFBR1 P36897 3/20 0.35
PCSK9 Q8NBP7 1/20 0.33
PIK3CD O00329 1/20 0.33
NAMPT P43490 1/20 0.31

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
SCHEMBL2177472 0.81 DYRK1A (0.44) DYRK1ASCN5AOGATGFBR1PCSK9
SCHEMBL3347519 0.75 GRM4 (0.46) DYRK1A
SCHEMBL3347027 0.74 GRM5 (0.50) DYRK1ATGFBR1
SCHEMBL3347789 0.74 GRM5 (0.49) DYRK1ASCN5AOGATGFBR1PIK3CD
SCHEMBL3346766 0.73 GRM5 (0.53) TGFBR1
SCHEMBL3346205 0.73 OGA (0.53) DYRK1ASCN5AOGATGFBR1PCSK9
SCHEMBL3346384 0.72 GRM5 (0.43) DYRK1AOGATGFBR1
SCHEMBL3345883 0.72 DYRK1A (0.37) DYRK1ASCN5AOGATGFBR1
SCHEMBL3347627 0.72 OGA (0.38) DYRK1ASCN5AOGATGFBR1PCSK9
SCHEMBL3346885 0.72 OGA (0.38) DYRK1ASCN5AOGATGFBR1PCSK9

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
EP-2920171-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-9730940-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME (US) 2017-08-15 US disclosed
US-20150353552-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME LLC 2015-12-10 US disclosed
EP-2920171-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp & Dohme Corp. (US) 2015-09-23 EP disclosed
WO-2014075392-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2014-05-22 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-20150353552-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA DYRK1A 3498/4885SCN5A 3081/4885OGA 3970/4885

“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.