SCHEMBL993523

SCHEMBL993523

CN1CCC2(CC1)CN(Cc1cc3sc(Cl)cc3c(N3CCOCC3)n1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.37
PIK3CB P42338 1/20 0.37
PIK3R1 P27986 4/20 0.36
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
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
HTR6 P50406 1/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
MAT2A P31153 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
NPC1 O15118 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL3787431 0.88 CYP2D6 (0.37) PIK3CAPIK3CBPIK3R1MEN1SMN1; SMN2
SCHEMBL10276093 0.84 RAB9A (0.41) PIK3CAPIK3CBPIK3R1SMN1; SMN2KDM4E
SCHEMBL3782027 0.81 LGMN (0.35) PIK3CAPIK3CBMEN1SMN1; SMN2KDM4E
SCHEMBL4392568 0.79 KMT2A (0.36) PIK3CAPIK3CBPIK3R1MEN1SMN1; SMN2
SCHEMBL10276136 0.78 HRH3 (0.38) PIK3CAPIK3CBPIK3R1SMN1; SMN2KDM4E
SCHEMBL10276385 0.77 PIK3CD (0.47) PIK3CAPIK3CB
SCHEMBL3802846 0.77 PIK3CD (0.47) PIK3CAPIK3CBPIK3R1
SCHEMBL10275931 0.77 HRH3 (0.44) PIK3CAPIK3CB
SCHEMBL3778364 0.76 SMN1; SMN2 (0.38) PIK3CAPIK3R1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4554726 0.76 SMN1; SMN2 (0.38) PIK3CAPIK3R1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
EP-2205610-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 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-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CB 3/4885PIK3R1 16/4885

“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.