SCHEMBL1044974

SCHEMBL1044974

Nc1nc(Nc2cnccn2)cc2ccn(Cc3ccccc3)c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EGLN1 Q9GZT9 5/20 0.41
LYN P07948 2/20 0.41
SRC P12931 2/20 0.41
BTK Q06187 1/20 0.41
DYRK1A Q13627 3/20 0.40
CLK1 P49759 2/20 0.40
DHPS P49366 1/20 0.39
SYK P43405 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM2 Q14416 4/20 0.38
AURKA O14965 1/20 0.38
DCLK1 O15075 1/20 0.38
PDPK1 O15530 1/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL1050065 0.89 KDM4E (0.43) ALDH1A1HPGDKDM4EPKMHSD17B10
SCHEMBL1047994 0.86 KDM4E (0.41) ALDH1A1HPGDKDM4EPKMHSD17B10
SCHEMBL1049132 0.85 KDM4E (0.44) ALDH1A1HPGDKDM4EPKMHSD17B10
SCHEMBL1159437 0.85 LYN (0.44) HSD17B10LYNSRCBTKSYK
SCHEMBL1158738 0.83 SYK (0.52) LYNSRCBTKSYKGRM2
SCHEMBL1043427 0.83 BTK (0.43) ALDH1A1HPGDKDM4EPKMHSD17B10
SCHEMBL1048380 0.82 KDM4E (0.42) ALDH1A1HPGDKDM4EPKMHSD17B10
SCHEMBL27826783 0.82 CLK1 (0.48) ALDH1A1HPGDKDM4EPKMHSD17B10
SCHEMBL1046657 0.80 KDM4E (0.42) ALDH1A1HPGDKDM4EPKMHSD17B10
SCHEMBL1049412 0.80 KDM4E (0.42) ALDH1A1HPGDKDM4EPKMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US claimed
EP-2459556-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2012-06-06 EP claimed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US claimed
WO-2011014515-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 WO claimed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US claimed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
EP-2459556-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2012-06-06 EP disclosed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US disclosed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US disclosed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US disclosed
WO-2011014515-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 WO disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 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 (2 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-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS SYK, BTK, LYN ALDH1A1 4436/4885HPGD 4093/4885KDM4E 1659/4885
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET ALDH1A1 2562/4885HPGD 4342/4885KDM4E 2223/4885

“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.