SCHEMBL1044293

SCHEMBL1044293

C[C@@H]1CN(c2ccc(Nc3nc(-c4cnc(N)nc4)cc4ccn(C)c(=O)c34)cc2)C[C@H](C)O1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.65
SYK P43405 10/20 0.44
PIK3CA P42336 1/20 0.43
MAP3K12 Q12852 1/20 0.42
JAK2 O60674 1/20 0.38
CD63 P08962 1/20 0.37
BCL6 P41182 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
EGFR P00533 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
SCHEMBL1046724 0.87 ZAP70 (0.68) ZAP70SYKPIK3CACD63
SCHEMBL1049094 0.81 ZAP70 (0.68) ZAP70SYKPIK3CA
SCHEMBL1049176 0.79 ZAP70 (0.82) ZAP70SYKPIK3CAEGFR
SCHEMBL1047491 0.79 ZAP70 (0.67) ZAP70SYK
SCHEMBL1047913 0.79 ZAP70 (0.57) ZAP70SYKCD63
SCHEMBL1045555 0.79 ZAP70 (1.00) ZAP70SYK
SCHEMBL1048116 0.78 ZAP70 (0.63) ZAP70SYK
SCHEMBL3360770 0.78 ZAP70 (0.58) ZAP70SYKPIK3CA
SCHEMBL1048157 0.78 ZAP70 (0.73) ZAP70SYK
SCHEMBL1045710 0.77 ZAP70 (0.69) ZAP70SYKCD63

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 4/4885SYK 2/4885PIK3CA 118/4885

“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.