SCHEMBL1158658

SCHEMBL1158658

Cc1ccnc(Nc2cc3cc[nH]c(=O)c3c(NC[C@H]3CCCO3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FER P16591 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SYK P43405 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ UTS2R Q9UKP6 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TNK2 Q07912 1/20 0.38
▸ GRM4 Q14833 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ ZAP70 P43403 1/20 0.38

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
SCHEMBL1158282 1.00 FER (0.42) FERALDH1A1HPGDALOX15HSD17B10
SCHEMBL12796255 0.90 UTS2R (0.40) FERALDH1A1HPGDALOX15HSD17B10
SCHEMBL1158163 0.86 FER (0.44) FERALOX15SYKJAK2LYN
SCHEMBL1158434 0.83 SYK (0.47) ALDH1A1HPGDALOX15HSD17B10NPC1
SCHEMBL1158435 0.83 BRD4 (0.52) FERALOX15SYKJAK2LYN
SCHEMBL1158652 0.81 FER (0.41) FERALDH1A1SYKSMN1; SMN2ZAP70
SCHEMBL1158751 0.80 FER (0.41) FERALDH1A1HPGDHSD17B10SYK
SCHEMBL1158012 0.80 FER (0.41) FERALDH1A1HPGDHSD17B10SYK
SCHEMBL1158890 0.80 SYK (0.54) FERALDH1A1SYKKDM4EL3MBTL1
SCHEMBL1158606 0.80 SYK (0.54) FERALDH1A1SYKKDM4EL3MBTL1

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-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 — — US claimed
EP-2459556-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2012-06-06 — — EP disclosed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 — — US disclosed
WO-2011014515-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 — — WO disclosed
WO-2011014515-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 — — 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-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS SYK, BTK, LYN FER 89/4885ALDH1A1 4436/4885HPGD 4093/4885

“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.

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