SCHEMBL1047972

SCHEMBL1047972

CCOc1ccccc1Nc1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCNCC3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 8/20 0.45
JAK1 P23458 2/20 0.42
ALK Q9UM73 2/20 0.41
JAK2 O60674 5/20 0.41
FER P16591 1/20 0.40
EGFR P00533 3/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LYN P07948 2/20 0.38
SYK P43405 2/20 0.38
KCNH2 Q12809 2/20 0.38
MAPT P10636 1/20 0.38
FLT3 P36888 1/20 0.37

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
SCHEMBL1046668 0.87 ZAP70 (0.41) ZAP70JAK1ALKJAK2FER
SCHEMBL1045667 0.85 ZAP70 (0.47) ZAP70JAK1ALKJAK2FER
SCHEMBL3358977 0.84 ZAP70 (0.51) ZAP70JAK1JAK2FERLYN
SCHEMBL1048073 0.83 ZAP70 (0.44) ZAP70JAK1ALKJAK2FER
SCHEMBL1048284 0.82 ZAP70 (0.51) ZAP70JAK1ALKJAK2FER
SCHEMBL1048072 0.81 ALK (0.58) ZAP70ALKKCNH2
SCHEMBL1048837 0.80 ZAP70 (0.51) ZAP70JAK1JAK2FER
SCHEMBL1045980 0.80 ZAP70 (0.51) ZAP70JAK1JAK2SYK
SCHEMBL1048495 0.80 ZAP70 (0.45) ZAP70JAK1JAK2FERLYN
SCHEMBL1049152 0.80 ZAP70 (0.49) ZAP70JAK1JAK2FER

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 6 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US 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 4/4885JAK1 90/4885ALK 9/4885

“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.