SCHEMBL13423964

SCHEMBL13423964

CCOC(=O)c1cc2n(n1)CCc1cnn(-c3ccccc3C)c1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 2/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.37
HCRTR2 O43614 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37

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
SCHEMBL2359449 0.88 ALDH1A1 (0.53) MAPTALDH1A1KDM4EKMT2ATSHR
SCHEMBL13424089 0.86 HPGD (0.39) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL13423952 0.84 ALDH1A1 (0.41) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL13424054 0.83 ALDH1A1 (0.39) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL13424061 0.81 POLB (0.39) MAPTALDH1A1HPGDTP53POLB
SCHEMBL13424059 0.79 MALT1 (0.43) ALDH1A1TP53
SCHEMBL13424058 0.79 RIPK1 (0.44) NPC1TP53POLBRAB9ASMN1; SMN2
SCHEMBL13424052 0.78 KDM4E (0.43) MAPK1ALDH1A1KDM4EKMT2ANPC1
SCHEMBL13423903 0.78 NR3C2 (0.39) MAPTALDH1A1KMT2AHPGDNPC1
SCHEMBL13424050 0.78 TSHR (0.51) MAPTALDH1A1KDM4EHPGDNPC1

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 MAPT 3800/4885MAPK1 240/4885ALDH1A1 3443/4885

“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.