SCHEMBL6239318

SCHEMBL6239318

O=c1nc[nH]c2sc(Br)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
CHEK1 O14757 1/20 0.37
AKT1 P31749 1/20 0.37
FLT3 P36888 1/20 0.37
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
TMIGD3 P0DMS9 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADORA1 P30542 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 1/20 0.33
CDC7 O00311 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31

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
SCHEMBL899868 0.73 CYP1A2 (0.58) PIM1PIM3CHEK1AKT1FLT3
SCHEMBL11417407 0.73 CYP1A2 (0.30) CYP1A2TMIGD3CYP2C9ADORA1
SCHEMBL3977831 0.71 GSK3B (0.52) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL2284623 0.68 PARP1 (0.43) PIM1PIM3CHEK1AKT1FLT3
SCHEMBL4212348 0.65 NPC1 (0.60) PIM1PIM3CHEK1AKT1FLT3
SCHEMBL22101768 0.64 PIM1 (0.41) PIM1PIM3CHEK1AKT1FLT3
SCHEMBL3226647 0.64 PIM1 (0.41) PIM1PIM3CHEK1AKT1FLT3
SCHEMBL1584889 0.63 PIM1 (0.56) PIM1PIM3CHEK1AKT1FLT3
SCHEMBL10131569 0.63 DYRK1A (0.46) PIM1PIM3CHEK1AKT1FLT3
SCHEMBL12489082 0.63 PIM1 (0.51) PIM1PIM3CHEK1AKT1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017046739-A1 IMIDAZOLIDINONE DERIVATIVES AS INHIBITORS OF PERK GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
WO-2015136463-A1 CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-09-17 WO disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 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-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors ERBB2, ERBB4, ERBB3 PIM1 754/4885PIM3 1195/4885CHEK1 139/4885
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS PIM1 357/4885PIM3 970/4885CHEK1 528/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS PIM1 357/4885PIM3 970/4885CHEK1 528/4885

“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.