SCHEMBL1047642

SCHEMBL1047642

CN1CCC(Oc2ccc(Nc3nc(-c4ccc(N)nc4)cc4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 16/20 0.67
DYRK1A Q13627 3/20 0.51
CLK2 P49760 1/20 0.51
CLK3 P49761 1/20 0.51
GSK3B P49841 2/20 0.40
CAMK2D Q13557 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
SCHEMBL1048388 0.90 ZAP70 (0.56) ZAP70DYRK1ACLK2CLK3
SCHEMBL1045718 0.88 ZAP70 (0.67) ZAP70CAMK2D
SCHEMBL1050424 0.88 ZAP70 (0.57) ZAP70DYRK1ACLK2CLK3
SCHEMBL1048446 0.88 ZAP70 (0.77) ZAP70
SCHEMBL1047176 0.87 ZAP70 (0.78) ZAP70DYRK1AGSK3B
SCHEMBL1045401 0.84 ZAP70 (0.61) ZAP70
SCHEMBL1048535 0.81 ZAP70 (0.73) ZAP70
SCHEMBL1047953 0.81 ZAP70 (0.78) ZAP70DYRK1AGSK3B
SCHEMBL1048318 0.80 ZAP70 (0.81) ZAP70
SCHEMBL1046651 0.80 ZAP70 (1.00) ZAP70DYRK1AGSK3B

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 9 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
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 4/4885DYRK1A 578/4885CLK2 918/4885

“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.