SCHEMBL13423960

SCHEMBL13423960

CCNc1ccc(-c2c3c(nn2-c2ccccc2C)-c2cc(NC(C)=O)nn2CC3)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 4/20 0.38
SLC5A1 P13866 5/20 0.36
CNR1 P21554 4/20 0.35
CNR2 P34972 3/20 0.35
NR3C2 P08235 1/20 0.35
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK14 Q16539 2/20 0.32
MAPK10 P53779 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL13423961 0.94 SLC5A1 (0.35) C5AR1SLC5A1CNR1CNR2NR3C2
SCHEMBL13424085 0.92 CNR1 (0.36) C5AR1CNR1CNR2BRD4CREBBP
SCHEMBL13423949 0.88 CNR1 (0.36) C5AR1SLC5A1CNR1CNR2NR3C2
SCHEMBL15477983 0.84 ALDH1A1 (0.42) C5AR1SLC5A1CNR1CNR2NR3C2
SCHEMBL13423947 0.83 NR3C2 (0.35) C5AR1SLC5A1CNR1CNR2NR3C2
SCHEMBL13423958 0.82 BRD4 (0.35) SLC5A1BRD4CREBBPMAPK14MAPK10
SCHEMBL15477978 0.81 NR3C2 (0.34) C5AR1SLC5A1NR3C2ALDH1A1
SCHEMBL13424082 0.78 CREBBP (0.36) SLC5A1NR3C2BRD4CREBBPMAPK14
SCHEMBL13423959 0.78 BRD4 (0.35) BRD4CREBBPMAPK14MAPK10PDE4B
SCHEMBL13424083 0.77 CREBBP (0.34) BRD4CREBBPMAPK14MAPK10PDE4B

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 C5AR1 2365/4885SLC5A1 3623/4885CNR1 2454/4885

“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.