SCHEMBL13423904

SCHEMBL13423904

CC(=O)Nc1cc2n(n1)CCCc1cnn(-c3ccccc3C)c1-2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HPGD P15428 1/20 0.35
SCN9A Q15858 1/20 0.35
SLC5A1 P13866 2/20 0.35
DHODH Q02127 3/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 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
SCHEMBL13423903 0.94 NR3C2 (0.39) NR3C2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13423906 0.90 WNT3A (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL13423905 0.84 WNT3A (0.40) SMN1; SMN2ALDH1A1HPGDADORA2AADORA1
SCHEMBL2359449 0.77 ALDH1A1 (0.53) NR3C2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13423902 0.77 DRD4 (0.39) NR3C2SLC5A1ADORA2AADORA1
SCHEMBL13423952 0.76 ALDH1A1 (0.41) NR3C2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13424058 0.75 RIPK1 (0.44) NR3C2SMN1; SMN2DHODH
SCHEMBL13424054 0.74 ALDH1A1 (0.39) NR3C2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13423964 0.72 MAPT (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL13424088 0.72 HTR2C (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1

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 1291/4885MEN1 878/4885KMT2A 919/4885

“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.