SCHEMBL1046593

SCHEMBL1046593

CN1CCN(c2ccc(Nc3nc(-c4ccccc4C#N)cc4cc[nH]c(=O)c34)cc2)CC1.COc1ccncc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCN(C)CC3)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.57
EGFR P00533 4/20 0.47
NSD2 O96028 1/20 0.42
MAP4K1 Q92918 1/20 0.42
TNIK Q9UKE5 1/20 0.41
JAK2 O60674 3/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
JAK1 P23458 1/20 0.40
INSR P06213 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALK Q9UM73 1/20 0.40

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
SCHEMBL1050414 0.91 ZAP70 (0.67) ZAP70EGFRMAP4K1
SCHEMBL1048431 0.90 ZAP70 (0.62) ZAP70EGFR
SCHEMBL1068637 0.84 ZAP70 (0.68) ZAP70EGFRJAK2
SCHEMBL12960916 0.84 ZAP70 (0.65) ZAP70EGFRMAP4K1
SCHEMBL12961007 0.84 ZAP70 (0.80) ZAP70JAK2JAK3
SCHEMBL12928819 0.81 ZAP70 (0.84) ZAP70EGFR
SCHEMBL1049985 0.81 ZAP70 (0.76) ZAP70JAK2
SCHEMBL1046635 0.79 ZAP70 (0.70) ZAP70EGFRMAP4K1JAK1
SCHEMBL1048717 0.78 ZAP70 (0.67) ZAP70EGFR
SCHEMBL1048551 0.76 ZAP70 (0.80) ZAP70EGFRJAK2

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 4 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 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 4/4885EGFR 237/4885NSD2 3147/4885

“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.