SCHEMBL1047878

SCHEMBL1047878

CCNC(=O)N1CCC(c2ccc(Nc3nc(-c4cncc(OC)c4)cc4cc[nH]c(=O)c34)cc2)CC1.COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C(C)C)CC4)cc3)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 15/20 0.70
JAK1 P23458 3/20 0.37
MCHR1 Q99705 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKG1 Q13976 1/20 0.36

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
SCHEMBL1046871 0.95 ZAP70 (0.76) ZAP70JAK1MCHR1
SCHEMBL1049878 0.92 ZAP70 (0.77) ZAP70
SCHEMBL1048840 0.87 ZAP70 (0.80) ZAP70JAK1
SCHEMBL1047354 0.84 ZAP70 (0.81) ZAP70JAK1
SCHEMBL1047376 0.83 ZAP70 (0.75) ZAP70JAK1
SCHEMBL1045821 0.82 ZAP70 (1.00) ZAP70JAK1
SCHEMBL1049401 0.81 ZAP70 (0.85) ZAP70JAK1
SCHEMBL1045794 0.81 ZAP70 (0.76) ZAP70
SCHEMBL1044204 0.81 ZAP70 (0.76) ZAP70
SCHEMBL1048148 0.81 ZAP70 (0.76) ZAP70JAK1

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 4 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 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 4/4885JAK1 90/4885MCHR1 1411/4885

“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.