SCHEMBL1044343

SCHEMBL1044343

CNc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCC[C@H]4CO)cc3)n2)cn1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.50
SPHK1 Q9NYA1 9/20 0.45
SPHK2 Q9NRA0 8/20 0.45

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
SCHEMBL1048654 0.89 ZAP70 (0.61) ZAP70SPHK1SPHK2
SCHEMBL1044911 0.89 SPHK1 (0.48) ZAP70SPHK1SPHK2
SCHEMBL1082138 0.86 ZAP70 (0.56) ZAP70SPHK1SPHK2
SCHEMBL1049700 0.84 ZAP70 (0.54) ZAP70
SCHEMBL1049150 0.84 ZAP70 (0.48) ZAP70SPHK1SPHK2
SCHEMBL1047905 0.83 SPHK1 (0.51) ZAP70SPHK1SPHK2
SCHEMBL1044289 0.82 ZAP70 (0.54) ZAP70
SCHEMBL1045672 0.82 ZAP70 (0.56) ZAP70
SCHEMBL1046993 0.80 ZAP70 (0.61) ZAP70
SCHEMBL1046821 0.80 ZAP70 (0.51) 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 11 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
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
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 4/4885SPHK1 924/4885SPHK2 753/4885

“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.