SCHEMBL1048863

SCHEMBL1048863

O=c1[nH]ccc2cc(-c3cccc(C(F)(F)F)c3)nc(Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.78
LRRK2 Q5S007 1/20 0.50
AR P10275 1/20 0.48
JAK2 O60674 1/20 0.46
SYK P43405 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
NR4A1 P22736 1/20 0.46
CNR2 P34972 1/20 0.46
BTK Q06187 1/20 0.45

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
SCHEMBL1047846 0.90 ZAP70 (0.76) ZAP70JAK2SYK
SCHEMBL1047808 0.90 ZAP70 (0.70) ZAP70SYKMAPTTSHRNR4A1
SCHEMBL1044792 0.88 ZAP70 (1.00) ZAP70JAK2SYK
SCHEMBL1047353 0.86 ZAP70 (0.82) ZAP70JAK2SYK
SCHEMBL1047684 0.86 ZAP70 (0.82) ZAP70JAK2SYKMAPT
SCHEMBL1046499 0.86 ZAP70 (0.82) ZAP70JAK2SYK
SCHEMBL13752847 0.85 ZAP70 (0.80) ZAP70JAK2SYK
SCHEMBL1047004 0.85 ZAP70 (0.82) ZAP70JAK2SYK
SCHEMBL1044814 0.84 ZAP70 (0.82) ZAP70JAK2SYKMAPTBTK
SCHEMBL1048185 0.84 ZAP70 (0.78) ZAP70JAK2SYK

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
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
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
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 4/4885LRRK2 517/4885AR 1719/4885

“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.