SCHEMBL312556

SCHEMBL312556

O=C(O)c1cnc2ccc(-c3ccc(Cl)cc3)cn12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 2/20 0.56
TGFBR1 P36897 6/20 0.52
CLK1 P49759 8/20 0.52
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TGFBR2 P37173 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FYN P06241 1/20 0.42

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
SCHEMBL19863350 0.87 TGFBR1 (0.47) EPHB3TGFBR1CLK1NPC1RAB9A
Ethane SCHEMBL18642128 0.84 TGFBR1 (0.48) EPHB3TGFBR1CLK1NPC1RAB9A
SCHEMBL311920 0.81 SCN5A (0.50) EPHB3TGFBR1CLK1TGFBR2
SCHEMBL15285823 0.80 MKNK1 (0.50) EPHB3EGLN1FYN
SCHEMBL312448 0.80 PIK3CD (0.55) EPHB3TGFBR1CLK1NPC1RAB9A
SCHEMBL2879750 0.77 EPHB3 (0.89) EPHB3CLK1NPC1RAB9ASMN1; SMN2
SCHEMBL312204 0.76 RAB9A (0.45) EPHB3TGFBR1NPC1RAB9AEGLN1
SCHEMBL9753957 0.76 KDM4E (0.50) EPHB3TGFBR1CLK1NPC1RAB9A
SCHEMBL27077073 0.76 TGFBR1 (0.48) EPHB3TGFBR1CLK1TGFBR2
SCHEMBL14756587 0.74 TGFBR1 (0.48) EPHB3TGFBR1CLK1TGFBR2

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 EPHB3 1099/4885TGFBR1 984/4885CLK1 3230/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 EPHB3 1099/4885TGFBR1 984/4885CLK1 3230/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 EPHB3 735/4885TGFBR1 717/4885CLK1 3304/4885

“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.