SCHEMBL359734

SCHEMBL359734

Cn1cc(-n2ccc(=O)c(COc3ccc(NCCCCO)cc3)n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 5/20 0.38
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
IRAK4 Q9NWZ3 4/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DYRK1B Q9Y463 1/20 0.33
SYK P43405 2/20 0.32
KCNH3 Q9ULD8 1/20 0.31
PDK2 Q15119 1/20 0.31
KDM5A P29375 1/20 0.31

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
SCHEMBL14916080 0.85 JAK2 (0.36) IRAK1JAK2JAK1JAK3IRAK4
SCHEMBL12503425 0.83 MEN1 (0.40) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL14930551 0.81 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL359456 0.80 FGFR1 (0.36) SMN1; SMN2L3MBTL1KDM5A
SCHEMBL14926941 0.80 MAPT (0.42) JAK2JAK1JAK3IRAK4ALDH1A1
SCHEMBL360971 0.79 TBXAS1 (0.41) HTTSMN1; SMN2
SCHEMBL10283527 0.78 LCK (0.39) ALDH1A1SMN1; SMN2
SCHEMBL359308 0.77 HTT (0.40) HTTSMN1; SMN2
SCHEMBL371168 0.76 RAB9A (0.38) L3MBTL1
SCHEMBL12503516 0.76 DGAT1 (0.39) IRAK1JAK2JAK1JAK3IRAK4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US claimed
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET IRAK1 500/4885JAK2 13/4885JAK1 73/4885

“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.