SCHEMBL1048973

SCHEMBL1048973

Cn1ccc2cc(-c3cncnc3)nc(N)c2c1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.48
SYK P43405 7/20 0.43
GRM2 Q14416 2/20 0.42
PDE5A O76074 1/20 0.37
PIK3CB P42338 2/20 0.34
KLK3 P07288 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
MAP4K1 Q92918 1/20 0.32
AURKA O14965 1/20 0.32
TTK P33981 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32

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
SCHEMBL1048001 0.86 ZAP70 (0.62) ZAP70SYKPDE5APIK3CBPIK3CA
SCHEMBL1043289 0.82 ZAP70 (0.54) ZAP70SYKGRM2
SCHEMBL27806186 0.79 GSK3B (0.42) ZAP70SYKMAP4K1
SCHEMBL27806165 0.79 ZAP70 (0.42) ZAP70SYKGRM2PIK3CBKLK3
SCHEMBL1058951 0.78 SYK (0.63) SYK
SCHEMBL27806125 0.73 TLR7 (0.42) ZAP70SYK
SCHEMBL1049131 0.73 ZAP70 (0.71) ZAP70SYK
SCHEMBL1050184 0.72 ZAP70 (0.51) ZAP70AURKATTKAURKBINCENP
SCHEMBL27826750 0.72 ZAP70 (0.58) ZAP70SYKPIK3CBPIK3CA
SCHEMBL1159116 0.70 ZAP70 (0.46) ZAP70SYKGRM2PDE5APIK3CB

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 6 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-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 (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 4/4885SYK 2/4885GRM2 565/4885

“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.