SCHEMBL1048840

SCHEMBL1048840

COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C(C)=O)CC4)cc3)n2)c1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 15/20 0.80
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
SYK P43405 2/20 0.39
JAK1 P23458 1/20 0.39
QDPR P09417 1/20 0.38

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
SCHEMBL1046871 0.91 ZAP70 (0.76) ZAP70JAK1
SCHEMBL1047354 0.91 ZAP70 (0.81) ZAP70SYKJAK1
SCHEMBL1046389 0.89 ZAP70 (0.68) ZAP70BTKSYKJAK1
SCHEMBL1045821 0.89 ZAP70 (1.00) ZAP70JAK3SYKJAK1
SCHEMBL1049512 0.89 ZAP70 (0.81) ZAP70BTKSYKJAK1
SCHEMBL1045384 0.89 ZAP70 (0.65) ZAP70BTKSYKJAK1
SCHEMBL1049878 0.88 ZAP70 (0.77) ZAP70SYK
SCHEMBL1045794 0.88 ZAP70 (0.76) ZAP70JAK3BTKSYK
SCHEMBL1044204 0.88 ZAP70 (0.76) ZAP70BTKSYK
SCHEMBL1048148 0.88 ZAP70 (0.76) ZAP70SYKJAK1

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 8 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-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
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 4/4885JAK3 212/4885BTK 24/4885

“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.