SCHEMBL1046041

SCHEMBL1046041

COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(CC(O)CO)CC4)cc3)n2)cn1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 15/20 0.60
INSR P06213 1/20 0.39
NPM1 P06748 1/20 0.39
ALK Q9UM73 1/20 0.39
JAK2 O60674 2/20 0.38
SYK P43405 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
JAK1 P23458 1/20 0.36

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
SCHEMBL12929914 0.92 ZAP70 (0.61) ZAP70JAK2SYKJAK1
SCHEMBL1048923 0.90 ZAP70 (0.58) ZAP70JAK2SYKJAK1
SCHEMBL1047651 0.89 ZAP70 (0.72) ZAP70JAK2SYKJAK1
SCHEMBL1158262 0.86 ZAP70 (0.60) ZAP70INSRNPM1ALKCDK9
SCHEMBL1046435 0.86 ZAP70 (0.78) ZAP70JAK1
SCHEMBL15290716 0.84 ZAP70 (0.59) ZAP70INSRNPM1ALKJAK2
SCHEMBL1048445 0.83 ZAP70 (0.64) ZAP70JAK2SYK
SCHEMBL1047320 0.83 ZAP70 (0.53) ZAP70JAK2SYK
SCHEMBL1043245 0.81 ZAP70 (0.66) ZAP70JAK2SYK
SCHEMBL1158068 0.81 ZAP70 (0.65) ZAP70

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 7 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-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
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 4/4885INSR 1192/4885NPM1 2320/4885

“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.