SCHEMBL1049402

SCHEMBL1049402

O=c1[nH]ccc2cc(N[C@H]3CCNC3)nc(Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.63
SYK P43405 4/20 0.47
JAK2 O60674 3/20 0.43
LYN P07948 3/20 0.43
BTK Q06187 2/20 0.43
FLT3 P36888 2/20 0.42
KCNH2 Q12809 1/20 0.42
FER P16591 1/20 0.42
PRKCI P41743 1/20 0.41
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 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
SCHEMBL1047667 1.00 ZAP70 (0.63) ZAP70SYKJAK2LYNBTK
SCHEMBL12928844 1.00 ZAP70 (0.63) ZAP70SYKJAK2LYNBTK
SCHEMBL1044187 0.95 ZAP70 (0.61) ZAP70SYKJAK2LYNBTK
SCHEMBL12928842 0.95 ZAP70 (0.61) ZAP70SYKJAK2LYNBTK
SCHEMBL1049008 0.95 ZAP70 (0.61) ZAP70SYKJAK2LYNBTK
SCHEMBL12874387 0.88 ZAP70 (0.65) ZAP70SYKJAK2LYNBTK
SCHEMBL1159079 0.88 ZAP70 (0.65) ZAP70SYKJAK2LYNBTK
SCHEMBL12796769 0.88 ZAP70 (0.65) ZAP70SYKJAK2LYNBTK
SCHEMBL1058393 0.86 ZAP70 (0.53) ZAP70SYKJAK2LYNPRKCI
SCHEMBL1058404 0.86 ZAP70 (0.53) ZAP70SYKJAK2LYNPRKCI

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 6 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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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

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 2/4885JAK2 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.