SCHEMBL508477

SCHEMBL508477

COc1ccc(CN(C(=O)c2cnc(NC3CCNCC3)s2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 5/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.40
ACHE P22303 1/20 0.40
TP53 P04637 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
LCK P06239 1/20 0.37
MAPK14 Q16539 1/20 0.37
HPGDS O60760 1/20 0.37
LMNA P02545 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL3359043 0.88 ACHE (0.44) BCL2A1MEN1KMT2ASMN1; SMN2ACHE
SCHEMBL508263 0.84 ALDH1A1 (0.49) BCL2A1MEN1KMT2AACHETP53
SCHEMBL508540 0.81 ACHE (0.41) BCL2A1MEN1KMT2ASMN1; SMN2ACHE
SCHEMBL508541 0.81 ACHE (0.41) BCL2A1MEN1KMT2ASMN1; SMN2ACHE
SCHEMBL509223 0.79 BCL2A1 (0.56) BCL2A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL509598 0.77 MAPK13 (0.48) BCL2A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL508789 0.76 MAPK13 (0.49) BCL2A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL13363657 0.76 MAPK13 (0.49) BCL2A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL508768 0.75 MAPK13 (0.50) BCL2A1MEN1KMT2ASMN1; SMN2ACHE
SCHEMBL508769 0.75 MAPK13 (0.50) BCL2A1MEN1KMT2ASMN1; SMN2ACHE

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-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-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2012-02-02 US disclosed
WO-2010054107-A2 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2010-05-14 WO disclosed
WO-2010054107-A2 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2010-05-14 WO 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
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 BCL2A1 3377/4885MEN1 2862/4885KMT2A 509/4885
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 BCL2A1 3377/4885MEN1 2862/4885KMT2A 509/4885

“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.