SCHEMBL1543907

SCHEMBL1543907

CN(C)c1ccnc2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.49
NPC1 O15118 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
NCF1 P14598 1/20 0.44
HTT P42858 7/20 0.44
ALDH1A1 P00352 1/20 0.44
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
RIPK2 O43353 1/20 0.43
STK16 O75716 1/20 0.43
ABL1 P00519 1/20 0.43
ACVR1 Q04771 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
COQ8A Q8NI60 1/20 0.43
NLK Q9UBE8 1/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41

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
SCHEMBL22659957 0.86 ALK (0.46) SLC22A12NPC1NCOA1NCOA3NCF1
SCHEMBL5499754 0.83 HTT (0.60) SLC22A12NCF1HTTALDH1A1GAK
SCHEMBL2621789 0.79 SYK (0.52) SLC22A12NCF1HTTALDH1A1GAK
SCHEMBL14242729 0.79 MCL1 (0.50) HTTALDH1A1GAKRIPK2STK16
SCHEMBL6600141 0.79 EGFR (0.44) SLC22A12NCF1HTTALDH1A1GAK
SCHEMBL21321494 0.76 LMNA (0.55) NCF1GAKRIPK2STK16AAK1
SCHEMBL20385253 0.76 CCNC (0.43) SLC22A12NCF1HTTALDH1A1GAK
SCHEMBL729828 0.76 SLC22A12 (0.49) SLC22A12NPC1NCOA1NCOA3NCF1
SCHEMBL741042 0.76 SLC22A12 (0.53) SLC22A12NPC1NCF1HTTALDH1A1
SCHEMBL14690611 0.75 SLC22A12 (0.51) SLC22A12NCF1HTTALDH1A1GAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307400-B1 INHIBITORS OF PI3 KINASE AMGEN INC (US) 2014-04-23 EP disclosed
EP-2307400-B1 INHIBITORS OF PI3 KINASE AMGEN INC (US) 2014-04-23 EP disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
EP-2307400-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO disclosed
US-20090170848-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-4396620-A BACTERICIDES ELI LILLY AND COMPANY (US) 1983-08-02 US disclosed
US-4382931-A 3'-Substituted quinolinium cephalosporins ELI LILLY AND COMPANY (US) 1983-05-10 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 (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-20090170848-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA SLC22A12 2800/4885NPC1 2430/4885NCOA1 2936/4885
US-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 SLC22A12 4103/4885NPC1 2040/4885NCOA1 3923/4885
US-20110092504-A1 INHIBITORS OF PI3 KINASE PIK3CA, PIK3R1, PIK3R5 SLC22A12 1891/4885NPC1 928/4885NCOA1 1601/4885

“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.