SCHEMBL13423902

SCHEMBL13423902

CC(=O)Nc1cc2n(n1)CCCc1cnn(C(C)C)c1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.37
RORA P35398 5/20 0.34
RORC P51449 5/20 0.34
RORB Q92753 5/20 0.34
NR1I2 O75469 3/20 0.34
PIK3C3 Q8NEB9 1/20 0.32
RPS6KA3 P51812 2/20 0.32
CYP11B2 P19099 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
ACACB O00763 2/20 0.31
ACACA Q13085 2/20 0.31
NR3C2 P08235 1/20 0.31
MAP4K4 O95819 1/20 0.31
ABL1 P00519 1/20 0.31
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CDK7 P50613 1/20 0.31
TYRO3 Q06418 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
SCHEMBL13424078 0.93 DRD4 (0.36) DRD4DRD2RORARORCRORB
SCHEMBL13423906 0.77 WNT3A (0.39) ADORA2AADORA1MAP4K4ABL1MAPK8
SCHEMBL13423899 0.74 CYP1A2 (0.41) PIK3C3CYP11B2ADORA2AADORA1MAP4K4
SCHEMBL13423882 0.74 PIK3C3 (0.33) RORARORCRORBNR1I2PIK3C3
SCHEMBL13423910 0.73 RORC (0.39) RORARORCRORBNR1I2PIK3C3
SCHEMBL13423938 0.71 ADORA2A (0.38) PIK3C3ADORA2AADORA1MAP4K4ABL1
SCHEMBL13423903 0.70 NR3C2 (0.39) ADORA2AADORA1NR3C2MAP4K4ABL1
SCHEMBL13423905 0.70 WNT3A (0.40) PIK3C3ADORA2AADORA1MAP4K4ABL1
SCHEMBL13423955 0.69 RORC (0.36) RORARORCRORBNR1I2PIK3C3
SCHEMBL13423901 0.68 BRD4 (0.36) RORARORCRORBNR1I2PIK3C3

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 DRD4 4232/4885DRD2 4742/4885RORA 1382/4885

“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.