SCHEMBL1046388

SCHEMBL1046388

Cc1cccc(Nc2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)c1S(N)(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 15/20 1.00
JAK2 O60674 5/20 0.41
SYK P43405 4/20 0.41
LYN P07948 3/20 0.41
KCNH2 Q12809 2/20 0.41
FLT3 P36888 1/20 0.41
FER P16591 1/20 0.41
CDK2 P24941 1/20 0.41
JAK3 P52333 1/20 0.41
TNIK Q9UKE5 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
SCHEMBL1047387 0.87 ZAP70 (0.77) ZAP70JAK2SYKLYNKCNH2
SCHEMBL1042098 0.85 ZAP70 (0.74) ZAP70JAK2FERJAK3
SCHEMBL1049000 0.84 ZAP70 (0.73) ZAP70JAK2SYKKCNH2JAK3
SCHEMBL27806139 0.84 ZAP70 (0.72) ZAP70JAK2SYKLYNKCNH2
SCHEMBL1049644 0.84 ZAP70 (0.72) ZAP70JAK2CDK2JAK3
SCHEMBL1046734 0.83 ZAP70 (0.71) ZAP70JAK2SYKLYNKCNH2
SCHEMBL1049400 0.82 ZAP70 (0.70) ZAP70JAK2SYKKCNH2
SCHEMBL1158444 0.82 ZAP70 (0.69) ZAP70JAK2SYKCDK2
SCHEMBL1044892 0.82 ZAP70 (0.69) ZAP70JAK2SYKLYN
SCHEMBL1046926 0.82 ZAP70 (0.69) ZAP70JAK2SYKJAK3

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 12 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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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
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 4/4885JAK2 63/4885SYK 2/4885

“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.