SCHEMBL1049151

SCHEMBL1049151

O=c1[nH]ccc2cc(-c3cncnc3)nc(Cc3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.46
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
XDH P47989 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
PARP1 P09874 2/20 0.35
AR P10275 1/20 0.35
CHEK1 O14757 2/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CYP2C9 P11712 1/20 0.34
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL1048014 0.85 ZAP70 (0.44) ZAP70ALDH1A1HPGDXDHCYP2C9
SCHEMBL1048579 0.85 ZAP70 (0.47) ZAP70XDHCYP2C9
SCHEMBL1050184 0.76 ZAP70 (0.51) ZAP70CHEK1
SCHEMBL1047476 0.70 ZAP70 (0.53) ZAP70
SCHEMBL12796007 0.68 ZAP70 (0.38) ZAP70XDHCHEK1
SCHEMBL1050023 0.67 ZAP70 (0.48) ZAP70ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4246806 0.67 ZAP70 (0.48) ZAP70ALDH1A1HPGDKDM4EGAA
SCHEMBL7430163 0.66 CYP11B1 (0.47) ALDH1A1HPGDKDM4EGAAHTT
SCHEMBL1044331 0.66 ZAP70 (0.77) ZAP70
SCHEMBL1048671 0.65 ZAP70 (0.66) ZAP70CHEK1

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 5 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
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
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 4/4885GSK3B 370/4885ALDH1A1 2562/4885

“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.