SCHEMBL10188924

SCHEMBL10188924

O=C(Nc1cc(F)cc(F)c1)c1cnc(Nc2ccc3cc(/C=C/S(=O)(=O)c4ccccc4)ccc3c2)s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.38
MAPK14 Q16539 6/20 0.37
MAPK13 O15264 5/20 0.37
MAPK12 P53778 5/20 0.37
MAPK11 Q15759 5/20 0.37
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NFE2L2 Q16236 2/20 0.35
EGFR P00533 1/20 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
SCHEMBL508060 0.79 MAPT (0.51) NPC1RAB9AKMT2AMAPK14MAPK13
SCHEMBL508061 0.79 MAPT (0.51) NPC1RAB9AKMT2AMAPK14MAPK13
SCHEMBL10188917 0.73 EGFR (0.39) NPC1RAB9AKMT2ANPSR1RXFP1
SCHEMBL10188921 0.67 MAPT (0.59) NPC1RAB9AKMT2AMAPK14MAPK13
SCHEMBL19390191 0.66 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL29022475 0.65 RELA (0.56) ALDH1A1SMN1; SMN2EGFR
SCHEMBL30987464 0.65 RELA (0.56) ALDH1A1SMN1; SMN2EGFR
SCHEMBL10188918 0.63 LCK (0.66) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL772846 0.63 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL27562366 0.61 MAPK14 (0.56) KMT2AMAPK14MAPK13MAPK12MAPK11

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 2 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-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 NPC1 2962/4885RAB9A 2042/4885KMT2A 509/4885
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 NPC1 2962/4885RAB9A 2042/4885KMT2A 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.