SCHEMBL13423959

SCHEMBL13423959

CCNc1ccc(-c2nn(C(C)C)c3c2CCn2nc(NC(C)=O)cc2-3)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
RORC P51449 6/20 0.34
RORB Q92753 5/20 0.34
NR1I2 O75469 4/20 0.34
RORA P35398 4/20 0.34
USP7 Q93009 1/20 0.33
HCAR3 P49019 1/20 0.33
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
ABL1 P00519 1/20 0.33
CYP3A4 P08684 1/20 0.33
BCR P11274 1/20 0.33
PIK3C3 Q8NEB9 3/20 0.32
ATM Q13315 1/20 0.32
SYK P43405 1/20 0.32
MAPK10 P53779 1/20 0.32
PDE4B Q07343 1/20 0.32
MAPK14 Q16539 1/20 0.32
KCNK3 O14649 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
SCHEMBL13423958 0.94 BRD4 (0.35) BRD4CREBBPRORCRORBNR1I2
SCHEMBL13424083 0.93 CREBBP (0.34) BRD4CREBBPRORCRORBNR1I2
SCHEMBL13423955 0.88 RORC (0.36) BRD4CREBBPRORCRORBNR1I2
SCHEMBL15477984 0.88 HCAR3 (0.37) HCAR3KCNK3FYNKIT
SCHEMBL13423945 0.88 RORC (0.38) BRD4CREBBPRORCRORBNR1I2
SCHEMBL13423901 0.88 BRD4 (0.36) BRD4CREBBPRORCRORBNR1I2
SCHEMBL13424082 0.86 CREBBP (0.36) BRD4CREBBPUSP7HCAR3MKNK1
SCHEMBL13424081 0.84 BRD4 (0.33) BRD4CREBBPUSP7HCAR3MKNK1
SCHEMBL13423910 0.82 RORC (0.39) RORCRORBNR1I2RORAPIK3C3
SCHEMBL13423961 0.82 SLC5A1 (0.35) BRD4CREBBPUSP7MAPK14FYN

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 BRD4 1126/4885CREBBP 1708/4885RORC 1428/4885

“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.