SCHEMBL1048014

SCHEMBL1048014

COc1ccc(Cc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 7/20 0.44
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 5/20 0.37
CYP11B2 P19099 5/20 0.37
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.35
XDH P47989 1/20 0.35
CYP17A1 P05093 1/20 0.35
PTGDR Q13258 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PDE10A Q9Y233 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1049151 0.85 ZAP70 (0.46) ZAP70ALDH1A1CYP2C9HPGDXDH
SCHEMBL1048579 0.76 ZAP70 (0.47) ZAP70CYP2C9XDH
SCHEMBL1050184 0.71 ZAP70 (0.51) ZAP70
SCHEMBL1049558 0.67 ZAP70 (0.62) ZAP70
SCHEMBL5383006 0.66 PDE3B (0.48) ALDH1A1MEN1KMT2ATSHRMAPK1
SCHEMBL1047476 0.66 ZAP70 (0.53) ZAP70
SCHEMBL1048039 0.65 ZAP70 (0.54) ZAP70
SCHEMBL1045596 0.65 ZAP70 (0.64) ZAP70MEN1KMT2ASMN1; SMN2
SCHEMBL11343259 0.64 LTA4H (0.59) ALDH1A1CYP11B1CYP11B2HPGDCYP17A1
SCHEMBL1044331 0.64 ZAP70 (0.77) ZAP70MEN1KMT2A

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 4 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 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 4/4885ALDH1A1 2562/4885MEN1 3818/4885

“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.