SCHEMBL1048403

SCHEMBL1048403

Cc1ccc(Nc2nc(CCCN)cc3cc[nH]c(=O)c23)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 9/20 0.58
CHEK1 O14757 4/20 0.39
STK17A Q9UEE5 2/20 0.39
CDK8 P49336 4/20 0.38
FER P16591 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
SCHEMBL1048455 0.88 ZAP70 (0.56) ZAP70CHEK1
SCHEMBL1046978 0.83 ZAP70 (0.70) ZAP70CHEK1FER
SCHEMBL12928808 0.81 ZAP70 (0.62) ZAP70CHEK1
SCHEMBL1083391 0.80 ZAP70 (0.69) ZAP70CHEK1FER
SCHEMBL1048882 0.80 ZAP70 (0.61) ZAP70CHEK1
SCHEMBL12928803 0.79 ZAP70 (0.55) ZAP70CHEK1FER
SCHEMBL12928804 0.79 STK17A (0.40) ZAP70CHEK1STK17A
SCHEMBL1049254 0.77 ZAP70 (0.60) ZAP70CHEK1
SCHEMBL1046985 0.77 ZAP70 (0.58) ZAP70CHEK1FER
SCHEMBL1044810 0.77 ZAP70 (0.72) ZAP70FER

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 4/4885CHEK1 900/4885STK17A 89/4885

“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.