SCHEMBL2673181

SCHEMBL2673181

C[C@@H]1COCCN1c1nc(Cl)nc2c1ncn2C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.53
PIK3CA P42336 4/20 0.53
PIK3CD O00329 3/20 0.53
ATR Q13535 5/20 0.47
CHEK1 O14757 2/20 0.47
ATM Q13315 1/20 0.45
CDK1 P06493 1/20 0.45
YTHDC1 Q96MU7 1/20 0.43
PIK3R1 P27986 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
RICTOR Q6R327 1/20 0.39
RPTOR Q8N122 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
MAPKAP1 Q9BPZ7 1/20 0.39
MLST8 Q9BVC4 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL1611445 1.00 MTOR (0.53) MTORPIK3CAPIK3CDATRCHEK1
SCHEMBL1611443 1.00 MTOR (0.53) MTORPIK3CAPIK3CDATRCHEK1
SCHEMBL1612230 0.85 MTOR (0.57) MTORPIK3CAPIK3CDATRCHEK1
SCHEMBL25235943 0.85 MTOR (0.57) MTORPIK3CAPIK3CDATRCHEK1
SCHEMBL25080274 0.85 MTOR (0.50) MTORPIK3CAPIK3CDATRCHEK1
SCHEMBL25080284 0.85 MTOR (0.50) MTORPIK3CAPIK3CDATRCHEK1
SCHEMBL799324 0.85 MTOR (0.57) MTORPIK3CAPIK3CDATRCHEK1
SCHEMBL25292440 0.83 MTOR (0.48) MTORPIK3CAPIK3CDATRCHEK1
SCHEMBL25243745 0.83 MTOR (0.48) MTORPIK3CAPIK3CDATRCHEK1
SCHEMBL25080608 0.83 MTOR (0.48) MTORPIK3CAPIK3CDATRCHEK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023020604-A1 FIVE-MEMBERED NITROGEN-CONTAINING HETEROCYCLIC AND HETEROARYL DERIVATIVE AND USE THEREOF 南京大美生物制药有限公司 2023-02-23 WO disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US 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 (2 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-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD MTOR 177/4885PIK3CA 1/4885PIK3CD 3/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD MTOR 181/4885PIK3CA 1/4885PIK3CD 3/4885

“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.