SCHEMBL1044908

SCHEMBL1044908

Cc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc4c(C)n[nH]c4c3)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.49
TGFBR1 P36897 4/20 0.43
CYP1A2 P05177 1/20 0.43
GRM4 Q14833 1/20 0.43
FER P16591 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
JAK2 O60674 1/20 0.38
TGFBR2 P37173 1/20 0.36

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
SCHEMBL1048684 0.84 ZAP70 (0.48) ZAP70TGFBR1FER
SCHEMBL1046549 0.83 ZAP70 (0.60) ZAP70CYP1A2GRM4FER
SCHEMBL1045907 0.81 ZAP70 (0.61) ZAP70CYP1A2GRM4
SCHEMBL1048646 0.80 ZAP70 (0.46) ZAP70CYP1A2GRM4
SCHEMBL1048423 0.77 ZAP70 (0.47) ZAP70TGFBR1FERJAK2TGFBR2
SCHEMBL1048263 0.75 ZAP70 (0.56) ZAP70FERJAK2
SCHEMBL1043375 0.75 ZAP70 (0.79) ZAP70JAK2
SCHEMBL1045761 0.75 ZAP70 (0.58) ZAP70FERJAK2
SCHEMBL1048535 0.74 ZAP70 (0.73) ZAP70FER
SCHEMBL1049082 0.73 ZAP70 (0.71) 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 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 4/4885TGFBR1 2576/4885CYP1A2 3670/4885

“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.