SCHEMBL15718985

SCHEMBL15718985

Cn1c(-c2ccc(C(F)(F)F)nc2)nc2c(Cl)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.52
PIK3R1 P27986 7/20 0.51
ADORA3 P0DMS8 4/20 0.41
ADORA2A P29274 4/20 0.41
ADORA1 P30542 4/20 0.41
ADORA2B P29275 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.38

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
SCHEMBL15720069 0.84 PIK3CD (0.54) PIK3CDPIK3R1ADORA3ADORA2AADORA1
SCHEMBL19426740 0.80 ADORA3 (0.47) PIK3CDPIK3R1ADORA3ADORA2AADORA1
SCHEMBL6666123 0.80 PIK3CD (0.51) PIK3CDADORA3ADORA2AADORA1ADORA2B
SCHEMBL4066247 0.79 ADORA3 (0.57) ADORA3ADORA2AADORA1ADORA2BPI4KA
SCHEMBL4069308 0.78 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2BPI4KA
SCHEMBL4062627 0.78 ADORA3 (0.55) PIK3CDADORA3ADORA2AADORA1ADORA2B
SCHEMBL28139948 0.77 CYP1A2 (0.47) PIK3CDPIK3R1PTGS2PTGS1
SCHEMBL4067321 0.76 ADORA3 (0.57) PIK3CDADORA3ADORA2AADORA1ADORA2B
SCHEMBL783764 0.76 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2BPI4KA
SCHEMBL4056149 0.75 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2BPI4KA

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 9 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-9938281-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2018-04-10 US disclosed
US-9730940-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME (US) 2017-08-15 US disclosed
US-20160207926-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2016-07-21 US disclosed
US-20150353552-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME LLC 2015-12-10 US disclosed
EP-2920172-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp & Dohme Corp. (US) 2015-09-23 EP 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
WO-2014075393-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 (2 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 PIK3CD 1/4885PIK3R1 55/4885ADORA3 29/4885
US-20160207926-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA PIK3CD 1/4885PIK3R1 64/4885ADORA3 54/4885

“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.