SCHEMBL12469476

SCHEMBL12469476

C[Si](C)(C)C#Cc1nc2ccccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.59
MAPT P10636 6/20 0.44
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 5/20 0.40
PKM P14618 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HCRTR1 O43613 1/20 0.40

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
SCHEMBL10881236 0.86 PSMB8 (0.70) PSMB8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5968335 0.78 PSMB8 (0.70) PSMB8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3083786 0.76 PSMB8 (0.68) PSMB8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6962695 0.76 PSMB8 (0.53) PSMB8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL548913 0.75 PSMB8 (1.00) PSMB8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL717589 0.75 PSMB8 (0.66) PSMB8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6960612 0.75 PSMB8 (0.66) PSMB8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL223563 0.75 PSMB8 (0.66) PSMB8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL129661 0.71 MAPT (0.59) PSMB8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17312298 0.71 MAPT (0.59) PSMB8MAPTNPC1RAB9ASMN1; SMN2

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
EP-2627178-B1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed
US-8927559-B2 Quinazolinone-type compounds as CRTH2 antagonists MERCK SHARP & DOHME CORP. (US) 2015-01-06 US disclosed
US-8927559-B2 Quinazolinone-type compounds as CRTH2 antagonists MERCK SHARP & DOHME CORP. (US) 2015-01-06 US disclosed
EP-2627178-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-08-21 EP disclosed
US-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
WO-2012051036-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-04-19 WO disclosed
WO-2012051036-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-04-19 WO 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 (1 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-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, NR3C2, HRH1 PSMB8 3404/4885MAPT 3966/4885NPC1 878/4885

“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.