SCHEMBL312204

SCHEMBL312204

Cc1cc(-c2ccc(Cl)cc2)cn2c(C(=O)O)cnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
MAPT P10636 5/20 0.45
AHR P35869 1/20 0.45
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
TGFBR1 P36897 1/20 0.40
CHEK1 O14757 3/20 0.39
MAPKAPK2 P49137 3/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ENPP2 Q13822 3/20 0.38
EPHB3 P54753 1/20 0.38
MAP4K4 O95819 2/20 0.38

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
SCHEMBL312200 0.84 IDO1 (0.52) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL312385 0.84 PTPN11 (0.42) KDM4ELMNAHPGDHSD17B10TGFBR1
SCHEMBL1347819 0.78 RAB9A (0.43) RAB9ANPC1SMN1; SMN2MAPTAHR
SCHEMBL312556 0.76 EPHB3 (0.56) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL1348501 0.75 RAB9A (0.41) RAB9ANPC1SMN1; SMN2MAPTAHR
SCHEMBL17438088 0.75 AGBL2 (0.40) MAPTKDM4EHPGDHSD17B10TGFBR1
SCHEMBL3499356 0.72 RXFP1 (0.58) RAB9ANPC1SMN1; SMN2MAPTAHR
SCHEMBL1346282 0.72 RAB9A (0.39) RAB9ANPC1SMN1; SMN2MAPTAHR
SCHEMBL27825609 0.70 CNR1 (0.46) RAB9ANPC1SMN1; SMN2MAPTAHR
SCHEMBL5186581 0.69 ADK (0.41) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349844-B2 Substituted pyrazolo [1,5-A] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GATTI MCARTHUR SILVIA (CH) 2012-02-16 US disclosed
US-8093263-B2 Substituted pyrazolo [1,5-a] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
EP-1934214-B1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-04-07 EP disclosed
US-20090143580-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS MCARTHUR SILVIA GATTI 2009-06-04 US disclosed
US-7504404-B2 Compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-03-17 US disclosed
EP-1934214-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039439-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. 2007-03-29 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 (3 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-20090143580-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 RAB9A 2047/4885NPC1 2411/4885SMN1; SMN2 907/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 RAB9A 2047/4885NPC1 2411/4885SMN1; SMN2 907/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 RAB9A 1313/4885NPC1 1674/4885SMN1; SMN2 1131/4885

“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.