SCHEMBL8058856

SCHEMBL8058856

Clc1nc(N2CCOCC2)c2nc(Cl)sc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 4/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SLC29A1 Q99808 1/20 0.37
HTR2C P28335 1/20 0.35
LMNA P02545 2/20 0.35
PIK3CA P42336 1/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 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
SCHEMBL1193901 0.86 SMN1; SMN2 (0.42) ADORA2ASMN1; SMN2ADORA3ALOX15MAPK1
SCHEMBL1191900 0.86 ADORA2A (0.40) ADORA2ASMN1; SMN2ADORA3ALOX15MAPK1
SCHEMBL2611082 0.86 ADORA2A (0.40) ADORA2ASMN1; SMN2ADORA3ALOX15MAPK1
SCHEMBL1192716 0.83 ADORA2A (0.38) ADORA2ASMN1; SMN2ADORA3ALOX15MAPK1
SCHEMBL25391427 0.83 SLC29A1 (0.41) ADORA2ASMN1; SMN2ADORA3ALOX15MAPK1
SCHEMBL1192244 0.82 ADORA2A (0.37) ADORA2ASMN1; SMN2ADORA3ALOX15MAPK1
SCHEMBL25393852 0.82 SMN1; SMN2 (0.39) ADORA2ASMN1; SMN2ADORA3ALOX15MAPK1
SCHEMBL2674349 0.82 PIK3CA (0.40) ADORA2ASMN1; SMN2ADORA3ALOX15MAPK1
SCHEMBL7930954 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALOX15MAPK1MAPTRAB9A
SCHEMBL1192753 0.81 SMN1; SMN2 (0.38) ADORA2ASMN1; SMN2ADORA3ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207781-B1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2012-11-28 EP disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
WO-2009042607-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-04-02 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-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA ADORA2A 3831/4885SMN1; SMN2 2590/4885ADORA3 2668/4885

“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.