SCHEMBL1048455

SCHEMBL1048455

COc1ccc(Nc2nc(CCCN)cc3cc[nH]c(=O)c23)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 9/20 0.56
JAK2 O60674 1/20 0.40
CYP3A4 P08684 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
ABCG2 Q9UNQ0 4/20 0.39
ABCB1 P08183 3/20 0.39
ABCC1 P33527 1/20 0.39
CHEK1 O14757 4/20 0.39
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PTK2 Q05397 1/20 0.35

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
SCHEMBL1048882 0.89 ZAP70 (0.61) ZAP70ABCG2ABCB1ABCC1CHEK1
SCHEMBL1048403 0.88 ZAP70 (0.58) ZAP70CHEK1
SCHEMBL1049254 0.81 ZAP70 (0.60) ZAP70CHEK1
SCHEMBL12928808 0.81 ZAP70 (0.62) ZAP70JAK2JAK1CHEK1
SCHEMBL1046985 0.81 ZAP70 (0.58) ZAP70CHEK1
SCHEMBL1046978 0.81 ZAP70 (0.70) ZAP70JAK2CHEK1
SCHEMBL12928803 0.78 ZAP70 (0.55) ZAP70JAK2CHEK1
SCHEMBL1083391 0.78 ZAP70 (0.69) ZAP70JAK2CHEK1
SCHEMBL1046591 0.76 ZAP70 (0.52) ZAP70JAK2CHEK1
SCHEMBL1044810 0.74 ZAP70 (0.72) ZAP70JAK2

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
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
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
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 4/4885JAK2 63/4885CYP3A4 4175/4885

“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.