SCHEMBL10936938

SCHEMBL10936938

Cc1cnc(N)nc1-c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.58
ADORA2A P29274 6/20 0.58
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
KMT2A Q03164 1/20 0.42
MAP3K14 Q99558 2/20 0.40
MAPK14 Q16539 1/20 0.40
RPS6KA3 P51812 1/20 0.39
GRM4 Q14833 1/20 0.39
ALOX5AP P20292 1/20 0.39
FYN P06241 1/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
LMNA P02545 1/20 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
SCHEMBL3021383 0.83 ADORA1 (0.59) ADORA1ADORA2AGRM4LMNA
SCHEMBL21121007 0.83 KMT2A (0.47) ADORA1ADORA2AKMT2AMAP3K14MAPK14
SCHEMBL29539989 0.81 CYP2A6 (0.57) ADORA1ADORA2ACDK5CDK5R1ALOX5AP
SCHEMBL21121008 0.80 ADORA1 (0.42) ADORA1ADORA2AKMT2AMAP3K14MAPK14
SCHEMBL5449788 0.79 ADORA1 (0.87) ADORA1ADORA2ACDK5CDK5R1KMT2A
SCHEMBL13828676 0.78 NPC1 (0.44) ADORA1ADORA2AKMT2AMAPK14LMNA
SCHEMBL13829027 0.78 MAPK14 (0.40) ADORA1ADORA2AMAPK14LMNA
SCHEMBL21121012 0.77 KMT2A (0.43) ADORA1ADORA2AKMT2AMAP3K14MAPK14
SCHEMBL28406688 0.77 DHFR (0.56) ADORA1ADORA2AKMT2AMAP3K14RPS6KA3
SCHEMBL31339965 0.77 KMT2A (0.71) ADORA1ADORA2AKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311736-A1 PYRIDOSULFONAMIDE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-12-09 US disclosed
US-20100311736-A1 PYRIDOSULFONAMIDE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-12-09 US disclosed
WO-2009055418-A1 PYRIDOSULFONAMIDE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-30 WO disclosed
US-4512993-A 4(Or 5)-(pyridinyl)-2-pyrimidinamines and cardiotonic use thereof STERLING DRUG INC. (US) 1985-04-23 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 (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-20100311736-A1 PYRIDOSULFONAMIDE DERIVATIVES AS P13 KINASE INHIBITORS PIKFYVE, JAK3, PI4KA ADORA1 940/4885ADORA2A 1079/4885CDK5 241/4885

“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.