Sugi Predict

Sugi Predict / Compounds / SCHEMBL1045508

SCHEMBL1045508

SCHEMBL1045508

CC(C)(O)c1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc4cn[nH]c4c3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 13/20 0.54
▸ SYK P43405 5/20 0.41
▸ BTK Q06187 1/20 0.41
▸ EIF2AK2 P19525 1/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PLK4 O00444 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ JAK2 O60674 1/20 0.37

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
SCHEMBL1048426 0.93 ZAP70 (0.54) ZAP70ROCK2ROCK1
SCHEMBL1044891 0.89 ZAP70 (0.48) ZAP70SYKEIF2AK2MAPK1PLK4
SCHEMBL1049511 0.83 ZAP70 (0.61) ZAP70SYKEIF2AK2MAPK1KDM4E
SCHEMBL1045442 0.83 ZAP70 (0.46) ZAP70SYKBTKEIF2AK2MAPK1
SCHEMBL1045652 0.82 ZAP70 (0.45) ZAP70SYKBTKEIF2AK2MAPK1
SCHEMBL1047845 0.82 ZAP70 (0.48) ZAP70SYKROCK1
SCHEMBL1049129 0.81 ZAP70 (0.48) ZAP70SYKEIF2AK2MAPK1PLK4
SCHEMBL1048662 0.80 ZAP70 (0.44) ZAP70SYKBTKEIF2AK2MAPK1
SCHEMBL1048684 0.79 ZAP70 (0.48) ZAP70EIF2AK2MAPK1KDM4ENPC1
SCHEMBL1047691 0.77 ZAP70 (0.42) ZAP70SYKBTKNPC1MAPT

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 11 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
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
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 4/4885SYK 2/4885BTK 24/4885

“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.