SCHEMBL1045718

SCHEMBL1045718

CNc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC4CCN(C)CC4)cc3)n2)cn1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 15/20 0.67
LCK P06239 1/20 0.42
KDR P35968 1/20 0.42
MAPK14 Q16539 1/20 0.42
CAMK2D Q13557 1/20 0.40
AXL P30530 2/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
AURKA O14965 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL1049113 0.90 ZAP70 (0.56) ZAP70LCKKDRMAPK14
SCHEMBL1049262 0.89 ZAP70 (0.59) ZAP70
SCHEMBL1047176 0.89 ZAP70 (0.78) ZAP70AXLKITFLT3
SCHEMBL1047642 0.88 ZAP70 (0.67) ZAP70CAMK2D
SCHEMBL1047836 0.88 ZAP70 (0.79) ZAP70
SCHEMBL1048535 0.81 ZAP70 (0.73) ZAP70AXLKITFLT3
SCHEMBL1047953 0.81 ZAP70 (0.78) ZAP70AXLKITFLT3
SCHEMBL1046651 0.80 ZAP70 (1.00) ZAP70AXLKITFLT3
SCHEMBL1082138 0.80 ZAP70 (0.56) ZAP70KDR
SCHEMBL1048552 0.79 ZAP70 (0.63) ZAP70

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 9 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
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 4/4885LCK 5/4885KDR 18/4885

“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.