SCHEMBL10276136

SCHEMBL10276136

Clc1cc2c(N3CCOCC3)nc(CN3CC(N4CCOCC4)C3)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.38
PIK3CD O00329 2/20 0.36
CYP3A4 P08684 1/20 0.36
PIK3CA P42336 7/20 0.35
PIK3R1 P27986 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.32
PIK3CB P42338 2/20 0.32
TACR1 P25103 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 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
SCHEMBL10275931 0.91 HRH3 (0.44) HRH3PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL10276093 0.88 RAB9A (0.41) PIK3CAPIK3R1SMN1; SMN2RAB9AMAPT
SCHEMBL3809370 0.84 HRH3 (0.37) HRH3PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL4392568 0.83 KMT2A (0.36) PIK3CAPIK3R1SMN1; SMN2RAB9AMAPT
SCHEMBL4554726 0.82 SMN1; SMN2 (0.38) PIK3CAPIK3R1SMN1; SMN2RAB9AMAPT
SCHEMBL10276385 0.81 PIK3CD (0.47) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL3782027 0.80 LGMN (0.35) PIK3CDCYP3A4PIK3CASMN1; SMN2RAB9A
SCHEMBL10276347 0.80 PIK3CA (0.33) HRH3PIK3CDCYP3A4PIK3CAPIK3R1
SCHEMBL10275807 0.80 HRH3 (0.39) HRH3PIK3CDCYP3A4PIK3CAPIK3R1
SCHEMBL3778364 0.79 SMN1; SMN2 (0.38) PIK3CAPIK3R1SMN1; SMN2RAB9AMAPT

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 2 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

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-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD HRH3 1180/4885PIK3CD 3/4885CYP3A4 2186/4885

“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.