SCHEMBL1049781

SCHEMBL1049781

COc1nc(-c2cc3ccn(C)c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)cnc1N

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 7/20 0.47
SYK P43405 11/20 0.42
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
YES1 P07947 1/20 0.41
KDR P35968 1/20 0.41
CD63 P08962 2/20 0.41
JAK2 O60674 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
SCHEMBL1046619 0.89 SYK (0.42) ZAP70SYKABL1NTRK1YES1
SCHEMBL1046436 0.85 ZAP70 (0.63) ZAP70ABL1NTRK1YES1KDR
SCHEMBL1046724 0.83 ZAP70 (0.68) ZAP70SYKCD63
SCHEMBL1047913 0.82 ZAP70 (0.57) ZAP70SYKCD63
SCHEMBL1046652 0.80 ZAP70 (0.52) ZAP70SYKKDRCD63
SCHEMBL1048732 0.79 ZAP70 (0.54) ZAP70SYK
SCHEMBL3360279 0.78 ABL1 (0.41) ZAP70SYKABL1NTRK1YES1
SCHEMBL27806120 0.75 ABL1 (0.41) SYKABL1NTRK1YES1KDR
SCHEMBL1048340 0.75 ZAP70 (0.51) ZAP70SYKNTRK1CD63JAK2
SCHEMBL28790569 0.75 ABL1 (0.38) SYKABL1NTRK1YES1KDR

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 2/4885ABL1 11/4885

“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.