SCHEMBL1046771

SCHEMBL1046771

O=c1[nH]ccc2cc(-c3ccnn3CCc3ccccc3)nc(Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.69
JAK2 O60674 1/20 0.42
SYK P43405 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK10 P53779 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
ALK Q9UM73 1/20 0.39
DGAT1 O75907 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39

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
SCHEMBL1046714 0.92 ZAP70 (0.71) ZAP70JAK2SYKMAPTMAPK10
SCHEMBL1047850 0.89 ZAP70 (0.65) ZAP70JAK2MAPKAPK5
SCHEMBL1044251 0.89 ZAP70 (0.65) ZAP70JAK2MAPKAPK5
SCHEMBL1046737 0.87 ZAP70 (0.63) ZAP70JAK2MAPKAPK5
SCHEMBL1048248 0.84 ZAP70 (0.70) ZAP70JAK2MAPK10MAPKAPK5
SCHEMBL1044792 0.82 ZAP70 (1.00) ZAP70JAK2SYK
SCHEMBL1049405 0.81 ZAP70 (0.60) ZAP70JAK2
SCHEMBL1048382 0.80 ZAP70 (0.67) ZAP70JAK2MAPKAPK5
SCHEMBL1047876 0.80 ZAP70 (0.67) ZAP70JAK2SYKMAPKAPK5
SCHEMBL1049462 0.80 ZAP70 (0.78) ZAP70JAK2SYKMAPKAPK5

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 8 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
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
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 4/4885JAK2 63/4885SYK 2/4885

“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.