SCHEMBL1048631

SCHEMBL1048631

Cc1cc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)ccc1OCCN1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.59
SRC P12931 1/20 0.43
MAP3K7 O43318 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
ABL1 P00519 1/20 0.42
KCNH2 Q12809 1/20 0.42
SYK P43405 2/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1044252 0.94 ZAP70 (0.57) ZAP70SRCABL1KCNH2SYK
SCHEMBL1043379 0.92 ZAP70 (0.51) ZAP70MAP3K7IRAK4SYKSMN1; SMN2
SCHEMBL1048796 0.91 ZAP70 (0.55) ZAP70ABL1KCNH2SYK
SCHEMBL1045703 0.89 ZAP70 (0.48) ZAP70MAP3K7IRAK4SYKSMN1; SMN2
SCHEMBL1045429 0.89 ZAP70 (0.51) ZAP70MAP3K7IRAK4SYKSMN1; SMN2
SCHEMBL1079019 0.88 ZAP70 (0.48) ZAP70SRCMAP3K7IRAK4SYK
SCHEMBL12929622 0.87 SMN1; SMN2 (0.43) ZAP70SRCSMN1; SMN2
SCHEMBL1049061 0.86 ZAP70 (0.49) ZAP70SRCSMN1; SMN2
SCHEMBL1048209 0.84 ZAP70 (0.46) ZAP70MAP3K7IRAK4SMN1; SMN2
SCHEMBL1045985 0.84 ZAP70 (0.47) ZAP70

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 4/4885SRC 31/4885MAP3K7 61/4885

“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.