SCHEMBL6526625

SCHEMBL6526625

CC(C)Nc1nc(Nc2cc(-c3cnn(C)c3)ccn2)cc2ccn(C)c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.45
IRAK1 P51617 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
GSK3B P49841 5/20 0.41
DYRK1A Q13627 5/20 0.41
WNT1 P04628 4/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
SYK P43405 10/20 0.40
LCK P06239 1/20 0.38
CSF1R P07333 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT3 P36888 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
SCHEMBL1158797 0.85 FLT3 (0.44) GSK3BDYRK1ASYKFLT3
SCHEMBL6524344 0.84 CHEK1 (0.43) ZAP70IRAK1IRAK4JAK2JAK1
SCHEMBL1159204 0.82 SYK (0.47) TYK2SYK
SCHEMBL1158339 0.80 SYK (0.58) ZAP70JAK2JAK1TYK2JAK3
SCHEMBL1159161 0.76 SYK (0.41) IRAK1GSK3BDYRK1AWNT1BRD4
SCHEMBL1159052 0.72 SYK (0.41) SYK
SCHEMBL1158536 0.72 SYK (0.46) TYK2SYK
SCHEMBL1158505 0.72 SYK (0.51) ZAP70TYK2GSK3BSYKLCK
SCHEMBL1159276 0.70 SYK (0.54) ZAP70JAK2JAK1TYK2JAK3
SCHEMBL1158427 0.70 SYK (0.44) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US claimed
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

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-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS SYK, BTK, LYN ZAP70 5/4885IRAK1 11/4885IRAK4 14/4885

“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.