SCHEMBL1049752

SCHEMBL1049752

O=c1[nH]ccc2cc(-c3cncc(CN4CCCC4)c3)nc(Nc3ccc4[nH]ncc4c3)c12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.47
ROCK2 O75116 7/20 0.44
ROCK1 Q13464 4/20 0.41
CCR2 P41597 3/20 0.41
SYK P43405 3/20 0.41
JAK2 O60674 2/20 0.41

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
SCHEMBL1047896 0.93 ZAP70 (0.47) ZAP70ROCK2SYKJAK2
SCHEMBL1049358 0.93 ZAP70 (0.52) ZAP70SYKJAK2
SCHEMBL1047628 0.83 ZAP70 (0.42) ZAP70ROCK2SYK
SCHEMBL1045594 0.82 ZAP70 (0.68) ZAP70SYKJAK2
SCHEMBL1047161 0.80 ZAP70 (0.75) ZAP70SYKJAK2
SCHEMBL1050218 0.78 ZAP70 (0.53) ZAP70ROCK2ROCK1
SCHEMBL1048202 0.78 ZAP70 (0.70) ZAP70SYKJAK2
SCHEMBL3390916 0.78 ROCK2 (0.41) ROCK2ROCK1CCR2
SCHEMBL12928938 0.77 ZAP70 (0.63) ZAP70SYKJAK2
SCHEMBL1047691 0.77 ZAP70 (0.42) ZAP70SYK

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-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 4/4885ROCK2 200/4885ROCK1 151/4885

“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.