SCHEMBL509648

SCHEMBL509648

COc1ccc(CN(C(=O)c2cnc(Br)s2)c2ccc(F)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MLYCD O95822 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
APLNR P35414 2/20 0.39
SLC2A1 P11166 1/20 0.38
MAPT P10636 1/20 0.38
SLC2A4 P14672 1/20 0.38
SLC2A8 Q9NY64 1/20 0.38
TSPO P30536 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CLK1 P49759 2/20 0.37
CLK2 P49760 2/20 0.37
DYRK1A Q13627 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
PTK2 Q05397 1/20 0.36
TNF P01375 1/20 0.36
NOD2 Q9HC29 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
SCHEMBL31291986 0.82 MEN1 (0.43) MEN1KMT2AMLYCDSLC2A1MAPT
SCHEMBL509224 0.81 MAPK13 (0.42) MEN1KMT2ATAS2R14SLC2A1MAPT
SCHEMBL509223 0.77 BCL2A1 (0.56) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL509131 0.73 MAPK13 (0.35) MEN1KMT2AALDH1A1MAPK1
SCHEMBL5857683 0.73 SMN1; SMN2 (0.44) MEN1KMT2AMLYCDMAPTALDH1A1
SCHEMBL31291881 0.70 MEN1 (0.43) MEN1KMT2AMLYCDSLC2A1SLC2A4
SCHEMBL11981319 0.70 MEN1 (0.49) MEN1KMT2AMLYCDMAPTTSPO
SCHEMBL14569100 0.69 SMN1; SMN2 (0.49) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL15490591 0.68 HSD17B1 (0.48) MAPTALDH1A1NPSR1CYP3A4LMNA
SCHEMBL15891882 0.68 MEN1 (0.65) MEN1KMT2AMAPTTSPOALDH1A1

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 3 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
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

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 MEN1 2862/4885KMT2A 509/4885MLYCD 2831/4885
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 MEN1 2862/4885KMT2A 509/4885MLYCD 2831/4885

“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.