SCHEMBL13423955

SCHEMBL13423955

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.36
RORB Q92753 7/20 0.36
RORA P35398 6/20 0.36
NR1I2 O75469 4/20 0.36
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
PIK3C3 Q8NEB9 5/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
CHEK1 O14757 1/20 0.33
SLC5A1 P13866 1/20 0.33
PIK3CG P48736 1/20 0.32
PDE10A Q9Y233 2/20 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
SCHEMBL13423945 0.90 RORC (0.38) RORCRORBRORANR1I2BRD4
SCHEMBL13423901 0.90 BRD4 (0.36) RORCRORBRORANR1I2BRD4
SCHEMBL13423959 0.88 BRD4 (0.35) RORCRORBRORANR1I2BRD4
SCHEMBL13423910 0.85 RORC (0.39) RORCRORBRORANR1I2PIK3C3
SCHEMBL13423958 0.82 BRD4 (0.35) RORCRORBRORANR1I2BRD4
SCHEMBL13424083 0.81 CREBBP (0.34) RORCRORBRORANR1I2BRD4
SCHEMBL13423925 0.81 SRC (0.34) PIK3CG
SCHEMBL13423954 0.75 NR1I2 (0.32) RORCRORBRORANR1I2
SCHEMBL13424082 0.74 CREBBP (0.36) BRD4CREBBPPIK3C3SLC5A1
SCHEMBL13423947 0.74 NR3C2 (0.35) RORCRORBRORANR1I2SLC5A1

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 RORC 1428/4885RORB 1552/4885RORA 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.