SCHEMBL1048581

SCHEMBL1048581

CC(=O)N1CCC(c2ccc(Nc3nc(-c4ccc(C#N)nc4)cc4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.66
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
SYK P43405 2/20 0.41
BTK Q06187 1/20 0.41
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
EGFR P00533 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
SCHEMBL1048539 0.89 ZAP70 (0.70) ZAP70BRD4CREBBPSYKBTK
SCHEMBL1044816 0.88 ZAP70 (0.69) ZAP70SYKBTKJAK1
SCHEMBL1049637 0.87 ZAP70 (0.70) ZAP70SYKBTKJAK1
SCHEMBL1048306 0.87 ZAP70 (0.70) ZAP70SYKBTK
SCHEMBL1045016 0.87 ZAP70 (0.65) ZAP70BRD4CREBBPSYKBTK
SCHEMBL1047823 0.87 ZAP70 (0.53) ZAP70BRD4CREBBPSYKBTK
SCHEMBL1047942 0.87 ZAP70 (0.67) ZAP70SYKBTKJAK2
SCHEMBL1047403 0.86 ZAP70 (0.60) ZAP70BRD4CREBBPSYKBTK
SCHEMBL1045624 0.86 ZAP70 (0.70) ZAP70SYKBTKJAK1
SCHEMBL1049224 0.86 ZAP70 (0.66) ZAP70BRD4CREBBPSYKBTK

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 10 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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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
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

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 4/4885BRD4 2595/4885CREBBP 713/4885

“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.