SCHEMBL1048673

SCHEMBL1048673

CC(C)CCOc1ccccc1Nc1nc(-c2ccc(N3CCNCC3)cc2)cc2cc[nH]c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.51
SYK P43405 6/20 0.43
KHK P50053 1/20 0.40
ALK Q9UM73 2/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 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
SCHEMBL1048401 0.87 ZAP70 (0.48) ZAP70SYK
SCHEMBL1079980 0.81 ZAP70 (0.44) ZAP70ALK
SCHEMBL27826692 0.81 ZAP70 (0.42) ZAP70SYK
SCHEMBL1047678 0.80 ZAP70 (0.48) ZAP70
SCHEMBL1044404 0.80 EGFR (0.40) ZAP70SYK
SCHEMBL1048544 0.79 ZAP70 (0.39) ZAP70SYK
SCHEMBL3359622 0.79 ALK (0.39) SYKKHKALKCDK4CCND1
SCHEMBL1045987 0.78 ZAP70 (0.52) ZAP70SYK
SCHEMBL1048756 0.77 ZAP70 (0.41) ZAP70SYK
SCHEMBL27805889 0.77 ALK (0.40) SYKKHKALKCDK4CCND1

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 5 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
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

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 4/4885SYK 2/4885KHK 2593/4885

“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.