SCHEMBL1046554

SCHEMBL1046554

Cn1cc(-c2cnc(Nc3ccc(C(=O)N4CCOCC4)cc3)c3c(=O)[nH]ccc23)cn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.77
TAF1 P21675 3/20 0.47
LRRK2 Q5S007 2/20 0.47
BRD4 O60885 3/20 0.45
CREBBP Q92793 1/20 0.45
TTK P33981 1/20 0.45
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SYK P43405 1/20 0.43
PTK2 Q05397 1/20 0.43
JAK2 O60674 1/20 0.43
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
BTK Q06187 3/20 0.42
BRD9 Q9H8M2 3/20 0.42
CECR2 Q9BXF3 2/20 0.42
TRIM24 O15164 1/20 0.41
BRD2 P25440 1/20 0.41
SMARCA4 P51532 1/20 0.41
BRD3 Q15059 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
SCHEMBL1045544 0.87 ZAP70 (1.00) ZAP70LRRK2TTKMAPK10
SCHEMBL1047826 0.81 ZAP70 (0.64) ZAP70BRD4BTKCECR2
SCHEMBL1049582 0.81 ZAP70 (0.73) ZAP70BRD4CREBBPTTKJAK2
SCHEMBL1045612 0.81 ZAP70 (0.73) ZAP70BRD4TTKJAK2
SCHEMBL1048228 0.81 ZAP70 (0.63) ZAP70LRRK2TTKSYKPTK2
SCHEMBL1045623 0.77 ZAP70 (0.80) ZAP70TTKJAK2MAPK10
SCHEMBL1046587 0.76 ZAP70 (0.66) ZAP70LRRK2BRD4SYKJAK2
SCHEMBL1049683 0.74 ZAP70 (0.76) ZAP70LRRK2TTKMAPK10
SCHEMBL1047380 0.74 ZAP70 (0.75) ZAP70TTKSYKJAK2CCNC
SCHEMBL1048934 0.73 ZAP70 (0.67) ZAP70LRRK2SYKJAK2

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 13 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

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 4/4885TAF1 4148/4885LRRK2 517/4885

“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.