SCHEMBL508540

SCHEMBL508540

COc1ccc(CN(C(=O)c2cnc(NC3CCN(C(=O)/C=C/CN4CCCC4)CC3)s2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
BCL2A1 Q16548 4/20 0.39
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
JAK3 P52333 2/20 0.37
TYK2 P29597 1/20 0.37
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR1 P32246 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EGFR P00533 1/20 0.34
BTK Q06187 1/20 0.34
CCNK O75909 4/20 0.34

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
SCHEMBL508541 1.00 ACHE (0.41) ACHEBCL2A1JAK2JAK1JAK3
SCHEMBL3359043 0.86 ACHE (0.44) ACHEBCL2A1TP53SMN1; SMN2NOS3
SCHEMBL508263 0.83 ALDH1A1 (0.49) ACHEBCL2A1TP53MEN1KMT2A
SCHEMBL508844 0.82 MAPK13 (0.40) BCL2A1TP53SMN1; SMN2GAAMEN1
SCHEMBL508843 0.82 MAPK13 (0.40) BCL2A1TP53SMN1; SMN2GAAMEN1
SCHEMBL508477 0.81 BCL2A1 (0.45) ACHEBCL2A1TP53SMN1; SMN2GAA
SCHEMBL509035 0.78 LCK (0.43) TP53MAPTEGFRBTKCCNK
SCHEMBL509034 0.78 LCK (0.43) TP53MAPTEGFRBTKCCNK
SCHEMBL3356274 0.78 BCL2A1 (0.40) BCL2A1TP53SMN1; SMN2GAAMEN1
SCHEMBL10151656 0.75 CHRM1 (0.39) ACHEMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2012-02-02 US disclosed
US-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2012-02-02 US disclosed
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2010-05-06 US disclosed
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2010-05-06 US 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 (2 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-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors MAP3K20, MAP3K6, MAP3K19 ACHE 4678/4885BCL2A1 3377/4885JAK2 467/4885
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 ACHE 4678/4885BCL2A1 3377/4885JAK2 467/4885

“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.