SCHEMBL10276093

SCHEMBL10276093

Clc1cc2c(N3CCOCC3)nc(CN3CCOCC3)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CXCR4 P61073 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
CSF1R P07333 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PIK3CA P42336 5/20 0.37
PIK3CB P42338 1/20 0.37
MAPT P10636 2/20 0.37
PIK3R1 P27986 4/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
KDM4E B2RXH2 3/20 0.35
CYP2A13 Q16696 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4392568 0.92 KMT2A (0.36) RAB9ANPC1CXCR4SMN1; SMN2CSF1R
SCHEMBL3782027 0.89 LGMN (0.35) RAB9ANPC1CXCR4SMN1; SMN2CSF1R
SCHEMBL10275931 0.89 HRH3 (0.44) PIK3CAPIK3CB
SCHEMBL10276136 0.88 HRH3 (0.38) RAB9ANPC1SMN1; SMN2PIK3CAPIK3CB
SCHEMBL10276385 0.87 PIK3CD (0.47) PIK3CAPIK3CB
SCHEMBL4554726 0.86 SMN1; SMN2 (0.38) RAB9ANPC1SMN1; SMN2PIK3CAMAPT
SCHEMBL3778364 0.86 SMN1; SMN2 (0.38) RAB9ANPC1SMN1; SMN2PIK3CAMAPT
SCHEMBL3809370 0.85 HRH3 (0.37) PIK3CAPIK3CB
SCHEMBL3787431 0.84 CYP2D6 (0.37) RAB9ANPC1SMN1; SMN2CSF1RPIM1
SCHEMBL993523 0.84 PIK3CA (0.37) RAB9ANPC1SMN1; SMN2CSF1RPIM1

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 RAB9A 4186/4885NPC1 2221/4885CXCR4 119/4885

“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.