SCHEMBL2472341

SCHEMBL2472341

CC1(C)CNC(=O)c2sc(-c3ccnc(Cl)c3)nc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.52
PIK3CD O00329 3/20 0.49
PIK3CA P42336 3/20 0.49
PIK3CB P42338 3/20 0.49
PIK3CG P48736 3/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.46
MAP2K2 P36507 3/20 0.46
MAP2K1 Q02750 3/20 0.46
HTT P42858 1/20 0.45
HIF1A Q16665 1/20 0.45
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
BUB1 O43683 1/20 0.36
CYP19A1 P11511 1/20 0.36
CDC7 O00311 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
SCHEMBL504084 0.83 PIK3CD (0.70) ATAD2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3574427 0.76 ATAD2 (0.48) ATAD2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2477606 0.75 ALDH1A1 (0.50) ATAD2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2072823 0.75 ATAD2 (0.68) ATAD2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL504077 0.73 ATAD2 (0.49) ATAD2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL302929 0.70 ATAD2 (0.70) ATAD2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10070729 0.70 ATAD2 (0.49) ATAD2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL303321 0.69 ATAD2 (1.00) ATAD2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10042015 0.68 ALDH1A1 (0.46) ATAD2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12415755 0.67 ATAD2 (0.65) ATAD2PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267498-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-10 US disclosed
US-20130267498-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-10 US disclosed
US-8399458-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
US-8399458-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
US-8399458-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
US-20120028965-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
US-20120028965-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
EP-2094712-B1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-10-12 EP disclosed
EP-2094712-B1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-10-12 EP disclosed
US-7838517-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-23 US disclosed
US-7838517-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-23 US disclosed
US-7838517-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-23 US disclosed
US-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 US disclosed
US-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 US disclosed
US-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 US disclosed
EP-2094712-A2 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmceuticals Incorporated (US) 2009-09-02 EP disclosed
WO-2008060597-A2 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-05-22 WO disclosed
WO-2008060597-A2 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-05-22 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 (3 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-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 ATAD2 2780/4885PIK3CD 99/4885PIK3CA 44/4885
US-20120028965-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 ATAD2 2780/4885PIK3CD 99/4885PIK3CA 44/4885
US-20130267498-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 ATAD2 2780/4885PIK3CD 99/4885PIK3CA 44/4885

“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.