SCHEMBL13423947

SCHEMBL13423947

CC(=O)Nc1cc2n(n1)CCc1c(-c3ccc(Cl)nc3)nn(-c3ccccc3C)c1-2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.35
CNR1 P21554 6/20 0.34
CNR2 P34972 3/20 0.34
SLC5A1 P13866 5/20 0.33
ALDH1A1 P00352 1/20 0.33
C5AR1 P21730 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1I2 O75469 1/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
SCN9A Q15858 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
SCHEMBL13423949 0.94 CNR1 (0.36) NR3C2CNR1CNR2SLC5A1ALDH1A1
SCHEMBL15477978 0.89 NR3C2 (0.34) NR3C2SLC5A1ALDH1A1C5AR1NR1I2
SCHEMBL13423961 0.89 SLC5A1 (0.35) NR3C2CNR1CNR2SLC5A1ALDH1A1
SCHEMBL13423956 0.86 ALDH1A1 (0.46) CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL15477982 0.85 MALT1 (0.39) NR3C2CNR1CNR2ALDH1A1KDM4E
SCHEMBL13423886 0.85 CNR1 (0.36) CNR1CNR2ALDH1A1
SCHEMBL13423876 0.85 ALDH1A1 (0.38) NR3C2CNR1CNR2ALDH1A1C5AR1
SCHEMBL13423957 0.83 UCHL1 (0.34) NR3C2CNR1CNR2SLC5A1C5AR1
SCHEMBL13423885 0.83 CNR1 (0.35) CNR1CNR2ALDH1A1C5AR1
SCHEMBL13423960 0.83 C5AR1 (0.38) NR3C2CNR1CNR2SLC5A1ALDH1A1

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 6 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
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
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 NR3C2 1291/4885CNR1 2454/4885CNR2 3835/4885

“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.