SCHEMBL1050184

SCHEMBL1050184

Nc1nc(-c2cncnc2)cc2cc[nH]c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 6/20 0.51
AURKA O14965 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
JAK2 O60674 1/20 0.40
RPS6KA3 P51812 1/20 0.40
MELK Q14680 1/20 0.40
STK24 Q9Y6E0 1/20 0.40
CHEK1 O14757 8/20 0.37
MAP4K4 O95819 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL1048918 0.86 JAK2 (0.40) ZAP70JAK2RPS6KA3MELKSTK24
SCHEMBL1050023 0.82 ZAP70 (0.48) ZAP70AURKAAURKBJAK2RPS6KA3
SCHEMBL1049151 0.76 ZAP70 (0.46) ZAP70CHEK1
SCHEMBL1159123 0.75 CHEK1 (0.46) JAK2RPS6KA3MELKSTK24CHEK1
SCHEMBL1047476 0.74 ZAP70 (0.53) ZAP70AURKBJAK2
SCHEMBL1048973 0.72 ZAP70 (0.48) ZAP70AURKATTKAURKBINCENP
SCHEMBL1048014 0.71 ZAP70 (0.44) ZAP70
SCHEMBL1048671 0.71 ZAP70 (0.66) ZAP70CHEK1
SCHEMBL1049511 0.70 ZAP70 (0.61) ZAP70AURKBJAK2RPS6KA3MELK
SCHEMBL1044331 0.69 ZAP70 (0.77) ZAP70JAK2

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
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US claimed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US claimed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US 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 (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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET ZAP70 4/4885AURKA 843/4885TTK 537/4885

“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.