SCHEMBL6524344

SCHEMBL6524344

CC(C)Nc1nc(Nc2cc(-c3cnn(C)c3)ccn2)cc2cc[nH]c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
IRAK1 P51617 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
GSK3B P49841 8/20 0.41
DYRK1A Q13627 8/20 0.41
WNT1 P04628 6/20 0.41
ZAP70 P43403 3/20 0.39
ACVR1 Q04771 1/20 0.37
SYK P43405 1/20 0.37
PFKFB3 Q16875 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
TPX2 Q9ULW0 1/20 0.37

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
SCHEMBL1159564 0.85 IDH2 (0.40) JAK2GSK3BZAP70ACVR1SYK
SCHEMBL6526625 0.84 ZAP70 (0.45) BRD4CREBBPIRAK1IRAK4JAK2
SCHEMBL1158920 0.83 FLT3 (0.45) CHEK1JAK2GSK3BDYRK1AZAP70
SCHEMBL1158174 0.80 JAK2 (0.41) CHEK1JAK2TYK2ZAP70SYK
SCHEMBL1158573 0.80 FER (0.43) JAK2TYK2GSK3BZAP70ACVR1
SCHEMBL1158519 0.78 SYK (0.52) JAK2JAK1TYK2JAK3ZAP70
SCHEMBL1158649 0.78 ELANE (0.39) JAK2JAK1TYK2ZAP70SYK
SCHEMBL1158912 0.77 SYK (0.40) CHEK1JAK2TYK2ZAP70SYK
SCHEMBL1158371 0.77 TYK2 (0.43) JAK2TYK2ZAP70SYK
SCHEMBL1158555 0.76 JAK2 (0.38) JAK2JAK1TYK2ZAP70SYK

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 CHEK1 427/4885BRD4 651/4885CREBBP 480/4885

“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.