SCHEMBL1048518

SCHEMBL1048518

O=c1[nH]ccc2ccnc(Nc3ccc(N4CCOCC4)c(C(F)(F)F)c3)c12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.52
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
NOTUM Q6P988 1/20 0.43
SYK P43405 1/20 0.42
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CCNA1 P78396 3/20 0.41
PIM1 P11309 2/20 0.41
CDK4 P11802 2/20 0.41
CCND3 P30281 2/20 0.41
GSK3B P49841 2/20 0.41
MTOR P42345 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
SCHEMBL1048878 0.88 ZAP70 (0.51) ZAP70JAK2JAK3SYKCDK4
SCHEMBL1046727 0.86 ZAP70 (0.56) ZAP70SYK
SCHEMBL1049304 0.82 ZAP70 (0.66) ZAP70JAK2SYK
SCHEMBL1298748 0.79 LRRK2 (0.68) ZAP70JAK2JAK3SYKPDE3B
SCHEMBL1045697 0.77 ZAP70 (0.60) ZAP70JAK2GSK3B
SCHEMBL1049230 0.73 ZAP70 (0.61) ZAP70CCNA2CDK2CCNA1MTOR
SCHEMBL1047246 0.72 ZAP70 (0.55) ZAP70CCNA2CDK2CCNA1MTOR
SCHEMBL28787088 0.71 JAK2 (0.41) JAK2JAK3NOTUMSYKPDE3B
SCHEMBL1048564 0.71 ZAP70 (0.77) ZAP70JAK2SYK
SCHEMBL1049809 0.70 ZAP70 (0.57) ZAP70MTOR

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 14 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
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 4/4885JAK2 63/4885JAK3 212/4885

“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.