SCHEMBL1044815

SCHEMBL1044815

COc1ccc(F)cc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCN(C)CC3)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 12/20 0.65
EGFR P00533 1/20 0.46
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
JAK1 P23458 1/20 0.41
MAP4K1 Q92918 3/20 0.41
JAK2 O60674 1/20 0.40
IL2 P60568 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
SCHEMBL1047774 0.91 ZAP70 (0.68) ZAP70EGFRJAK1MAP4K1
SCHEMBL1046635 0.87 ZAP70 (0.70) ZAP70EGFRCCNT1CDK9JAK1
SCHEMBL1046792 0.87 ZAP70 (0.60) ZAP70EGFRJAK1JAK2
SCHEMBL1048852 0.83 ZAP70 (0.66) ZAP70EGFRJAK1MAP4K1
SCHEMBL1045604 0.83 ZAP70 (0.68) ZAP70JAK1
SCHEMBL1046435 0.83 ZAP70 (0.78) ZAP70EGFRJAK1MAP4K1
SCHEMBL1082142 0.82 ZAP70 (0.65) ZAP70EGFRJAK1JAK2
SCHEMBL1044236 0.82 ZAP70 (0.65) ZAP70EGFRJAK1MAP4K1
SCHEMBL1047939 0.82 ZAP70 (0.74) ZAP70EGFRJAK1MAP4K1IL2
SCHEMBL1046772 0.82 ZAP70 (0.77) ZAP70JAK1MAP4K1

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 13 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
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
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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP 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 4/4885EGFR 237/4885CCNT1 3329/4885

“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.