SCHEMBL508263

SCHEMBL508263

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
PTPRB P23467 1/20 0.42
PTPN11 Q06124 1/20 0.42
DYRK1A Q13627 1/20 0.42
SLC2A1 P11166 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.41
TP53 P04637 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
NR1D1 P20393 2/20 0.41
CNR1 P21554 2/20 0.40
BCL2A1 Q16548 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
KDM1A O60341 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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 0.90 ACHE (0.44) MEN1KMT2AACHETP53BCL2A1
SCHEMBL508541 0.83 ACHE (0.41) MEN1KMT2AACHETP53BCL2A1
SCHEMBL14252733 0.75 ALDH1A1 (0.53) ALDH1A1DYRK1ACCNA2CDK2GPR119
SCHEMBL509223 0.74 BCL2A1 (0.56) MEN1KMT2ATP53BCL2A1MAPT
SCHEMBL16761309 0.72 VEGFA (0.48) MEN1KMT2ATP53NR1D1KDM1A
SCHEMBL13363657 0.71 MAPK13 (0.49) MEN1KMT2ATP53BCL2A1NPC1
SCHEMBL508789 0.71 MAPK13 (0.49) MEN1KMT2ATP53BCL2A1NPC1
SCHEMBL508769 0.70 MAPK13 (0.50) MEN1KMT2AACHETP53BCL2A1
SCHEMBL7381166 0.70 ALDH1A1 (0.69) ALDH1A1MEN1KMT2ATP53GPR119
SCHEMBL508844 0.70 MAPK13 (0.40) MEN1KMT2ATP53BCL2A1NPC1

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 ALDH1A1 3156/4885PTPRB 1432/4885PTPN11 1607/4885
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 ALDH1A1 3156/4885PTPRB 1432/4885PTPN11 1607/4885

“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.