SCHEMBL1048878

SCHEMBL1048878

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.51
JAK3 P52333 3/20 0.46
JAK2 O60674 2/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
HTT P42858 1/20 0.45
SYK P43405 2/20 0.43
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
BTK Q06187 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CSF1R P07333 1/20 0.41
CDK4 P11802 1/20 0.41
CDK6 Q00534 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
SCHEMBL1046727 0.88 ZAP70 (0.56) ZAP70SYKMAPK9MAPK10CSF1R
SCHEMBL1048518 0.88 ZAP70 (0.52) ZAP70JAK3JAK2SYKCDK4
SCHEMBL1045697 0.86 ZAP70 (0.60) ZAP70JAK2JAK1BTK
SCHEMBL1049304 0.84 ZAP70 (0.66) ZAP70JAK2SYK
SCHEMBL1048564 0.82 ZAP70 (0.77) ZAP70JAK2SYKMAPK9MAPK10
SCHEMBL1049809 0.81 ZAP70 (0.57) ZAP70
SCHEMBL1044950 0.81 ZAP70 (0.79) ZAP70JAK3JAK2JAK1TYK2
SCHEMBL1078561 0.81 ZAP70 (0.59) ZAP70JAK3JAK2JAK1TYK2
SCHEMBL1048106 0.81 ZAP70 (0.59) ZAP70JAK3JAK2JAK1TYK2
SCHEMBL1048402 0.81 ZAP70 (0.52) ZAP70JAK3JAK2JAK1TYK2

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 4/4885JAK3 212/4885JAK2 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.