SCHEMBL13423938

SCHEMBL13423938

CC(=O)Nc1cc2n(n1)CCCCC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
CYP1A2 P05177 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
MAPK8 P45983 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK7 P50613 1/20 0.38
TYRO3 Q06418 1/20 0.38
LRRK2 Q5S007 1/20 0.38
AURKB Q96GD4 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PIK3C3 Q8NEB9 3/20 0.37
BAZ2B Q9UIF8 1/20 0.37
PIK3CG P48736 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL13423899 0.96 CYP1A2 (0.41) ADORA2AADORA1CYP1A2MAP4K4ABL1
SCHEMBL13424042 0.78 CYP1A2 (0.39) CYP1A2
SCHEMBL13423939 0.76 ADORA2A (0.37) ADORA2AADORA1MAP4K4ABL1MAPK8
SCHEMBL15477976 0.75 ADORA2A (0.35) ADORA2AADORA1MAP4K4ABL1MAPK8
SCHEMBL13423900 0.73 CYP1A2 (0.43) CYP1A2ALDH1A1GAAMAPT
SCHEMBL25594845 0.73 CYP1A2 (0.44) CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL6381168 0.73 CYP1A2 (0.44) CYP1A2KDM4EALDH1A1MAPT
SCHEMBL15477979 0.71 MAP4K4 (0.36) ADORA2AADORA1MAP4K4ABL1MAPK8
SCHEMBL13423902 0.71 DRD4 (0.39) ADORA2AADORA1MAP4K4ABL1MAPK8
SCHEMBL13424070 0.70 CYP1A2 (0.43) CYP1A2

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-2350084-B1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (PI3-KINASES) INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2015-06-24 EP disclosed
EP-2350084-B1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (PI3-KINASES) INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2015-06-24 EP disclosed
US-8653097-B2 Tetra-aza-heterocycles as phosphatidylinositol-3-kinases (P13-kinases) inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653097-B2 Tetra-aza-heterocycles as phosphatidylinositol-3-kinases (P13-kinases) inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653097-B2 Tetra-aza-heterocycles as phosphatidylinositol-3-kinases (P13-kinases) inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20110312940-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (P13-KINASES) INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312940-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (P13-KINASES) INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312940-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (P13-KINASES) INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2010043676-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (PI3-KINASES) INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 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-20110312940-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (P13-KINASES) INHIBITOR CCNK, CDK1, CDKN1A ADORA2A 885/4885ADORA1 824/4885CYP1A2 1673/4885

“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.