SCHEMBL2674349

SCHEMBL2674349

O=C(O)c1nc2c(N3CCOCC3)nc(Cl)nc2s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.40
PIK3R1 P27986 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.38
ADORA2A P29274 2/20 0.37
ALOX15 P16050 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
HDAC1 Q13547 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
SLC29A1 Q99808 1/20 0.35
MAPK1 P28482 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL8058856 0.82 ADORA2A (0.45) PIK3CASMN1; SMN2POLBADORA2AALOX15
SCHEMBL2674014 0.81 KDM4E (0.36) PIK3CAPIK3R1PIK3CDPIK3CBSMN1; SMN2
SCHEMBL2673639 0.81 PIK3CD (0.35) PIK3CDSMN1; SMN2ADORA2AKDM4EALDH1A1
SCHEMBL1191900 0.78 ADORA2A (0.40) PIK3CASMN1; SMN2POLBADORA2AALOX15
SCHEMBL1193901 0.78 SMN1; SMN2 (0.42) PIK3CAPIK3CDPIK3CBSMN1; SMN2POLB
SCHEMBL2611082 0.78 ADORA2A (0.40) PIK3CASMN1; SMN2POLBADORA2AALOX15
SCHEMBL25391427 0.77 SLC29A1 (0.41) PIK3CAPIK3R1PIK3CDSMN1; SMN2ADORA2A
SCHEMBL1192716 0.77 ADORA2A (0.38) SMN1; SMN2POLBADORA2AALOX15ADORA3
SCHEMBL2672878 0.77 PIK3CD (0.42) PIK3CDPIK3CBSMN1; SMN2ADORA2AKDM4E
SCHEMBL1191980 0.77 HSD17B10 (0.45) PIK3CAPOLBADORA2AALOX15ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO 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 PIK3CA 1/4885PIK3R1 7/4885PIK3CD 3/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD PIK3CA 1/4885PIK3R1 7/4885PIK3CD 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.