SCHEMBL12469642

SCHEMBL12469642

C=C(C)c1nc2ccc(F)cc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.46
XDH P47989 4/20 0.45
GABRP O00591 4/20 0.41
GABRD O14764 4/20 0.41
GABRA1 P14867 4/20 0.41
GABRB1 P18505 4/20 0.41
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA5 P31644 4/20 0.41
GABRA3 P34903 4/20 0.41
GABRA2 P47869 4/20 0.41
GABRB2 P47870 4/20 0.41
GABRA4 P48169 4/20 0.41
GABRE P78334 4/20 0.41
GABRA6 Q16445 4/20 0.41
GABRG1 Q8N1C3 4/20 0.41
GABRG3 Q99928 4/20 0.41
GABRQ Q9UN88 4/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 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
SCHEMBL6976559 0.83 DAGLA (0.52) DAGLAXDHGABRPGABRDGABRA1
SCHEMBL20663398 0.81 KDM4E (0.53) XDHGABRPGABRDGABRA1GABRB1
SCHEMBL3640199 0.78 DAGLA (0.56) DAGLAXDHGABRPGABRDGABRA1
SCHEMBL4464221 0.75 XDH (0.49) XDHKMT2ATLR4KDM4ENLRP3
SCHEMBL29805838 0.75 XDH (0.49) XDHKMT2ATLR4KDM4ENLRP3
SCHEMBL2490866 0.73 SMN1; SMN2 (0.49) DAGLAXDHGABRPGABRDGABRA1
SCHEMBL5542616 0.73 GABRP (0.42) DAGLAXDHGABRPGABRDGABRA1
SCHEMBL17087993 0.72 LMNA (0.43) DAGLAXDHGABRPGABRDGABRA1
SCHEMBL6982900 0.72 DAGLA (0.54) DAGLAXDHGABRPGABRDGABRA1
SCHEMBL14110409 0.72 DAGLA (0.67) DAGLAXDHGABRPGABRDGABRA1

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 14 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-9290454-B2 Substituted isoquinolines as CRTH2 receptor modulators MERCK SHARP & DOHME CORP. (US) 2016-03-22 US disclosed
US-20150353498-A1 SUBSTITUTED ISOQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2922539-A1 SUBSTITUTED ISOQUINOLINES AS CRTH2 RECEPTOR MODULATORS Merck Sharp & Dohme Corp. (US) 2015-09-30 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
US-8927559-B2 Quinazolinone-type compounds as CRTH2 antagonists MERCK SHARP & DOHME CORP. (US) 2015-01-06 US disclosed
WO-2014055311-A1 SUBSTITUTED ISOQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2014-04-10 WO 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
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 (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-20130210805-A1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, NR3C2, HRH1 DAGLA 4773/4885XDH 415/4885GABRP 2875/4885
US-20150353498-A1 SUBSTITUTED ISOQUINOLINES AS CRTH2 RECEPTOR MODULATORS NR1H2, NR1H3, GPR52 DAGLA 4286/4885XDH 1683/4885GABRP 1083/4885

“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.