SCHEMBL9604644

SCHEMBL9604644

Cn1nnc2ncnc(N)c21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.46
ADORA1 P30542 5/20 0.44
PI4KA P42356 3/20 0.39
PI4K2B Q8TCG2 3/20 0.39
PI4K2A Q9BTU6 3/20 0.39
PI4KB Q9UBF8 3/20 0.39
LIMK1 P53667 2/20 0.38
KDR P35968 5/20 0.35
LMNA P02545 1/20 0.34
DRD3 P35462 1/20 0.34
XDH P47989 1/20 0.34
LRRK2 Q5S007 1/20 0.34
ADORA2B P29275 2/20 0.33
NUDT1 P36639 2/20 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
SCHEMBL3349439 0.76 ADORA2A (0.41) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21316678 0.76 ADORA2A (0.53) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL756293 0.76 ADORA2A (0.53) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3035399 0.73 ADORA2A (0.42) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10835442 0.71 ADORA2A (0.37) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL26976 0.69 ADORA2A (0.61) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL763189 0.68 ADORA2A (0.53) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL13593762 0.67 LIMK1 (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1378254 0.67 ADORA2A (0.45) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL18546887 0.66 KDR (0.45) ADORA2AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-11-30 US disclosed
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-02-23 US disclosed
US-9487772-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2016-11-08 US disclosed
US-8653077-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-02-18 US disclosed
US-8637533-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-01-28 US disclosed
US-8623881-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-01-07 US disclosed
US-8492389-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2013-07-23 US disclosed
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2012-07-05 US disclosed
US-20120135994-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2012-05-31 US disclosed
US-8138195-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2012-03-20 US disclosed
US-20100168139-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-07-01 US 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 (5 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-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885PI4KA 5/4885
US-20100168139-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885PI4KA 5/4885
US-20120135994-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885PI4KA 5/4885
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3485/4885ADORA1 2944/4885PI4KA 4/4885
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885PI4KA 5/4885

“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.