SCHEMBL1048068

SCHEMBL1048068

O=c1[nH]ccc2cc(N3CCNCC3)nc(Nc3ccc(C4CCNCC4)cc3)c12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 16/20 0.54
JAK1 P23458 2/20 0.49
JAK2 O60674 1/20 0.49
EGFR P00533 2/20 0.40
LCK P06239 2/20 0.40
JAK3 P52333 2/20 0.40
BTK Q06187 1/20 0.39

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
SCHEMBL1049613 0.92 ZAP70 (0.60) ZAP70JAK1JAK2EGFRLCK
SCHEMBL1045610 0.90 ZAP70 (0.49) ZAP70JAK1JAK2EGFRLCK
SCHEMBL1048461 0.90 ZAP70 (0.68) ZAP70JAK1JAK2EGFRLCK
SCHEMBL1047855 0.89 ZAP70 (0.51) ZAP70JAK1JAK2EGFRLCK
SCHEMBL28790499 0.84 ZAP70 (0.56) ZAP70JAK1JAK2
SCHEMBL1043298 0.83 ZAP70 (0.65) ZAP70JAK1EGFRLCK
SCHEMBL1048102 0.83 ZAP70 (0.65) ZAP70JAK1EGFR
SCHEMBL12928975 0.82 ZAP70 (0.64) ZAP70JAK1EGFRLCKJAK3
SCHEMBL1049051 0.82 ZAP70 (0.61) ZAP70JAK1JAK2EGFRLCK
SCHEMBL3358977 0.81 ZAP70 (0.51) ZAP70JAK1JAK2JAK3

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 12 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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO 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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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 4/4885JAK1 90/4885JAK2 63/4885

“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.