SCHEMBL312200

SCHEMBL312200

CCOC(=O)c1cnc2c(C)cc(-c3ccc(Cl)cc3)cn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
GABRA2 P47869 4/20 0.45
GABRB2 P47870 4/20 0.45
ALPL P05186 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41

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
SCHEMBL312051 0.85 ENPP2 (0.44) IDO1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL312204 0.84 RAB9A (0.45) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL312448 0.82 PIK3CD (0.55) IDO1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL23029841 0.78 TGFBR1 (0.42) IDO1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL17093165 0.76 LMNA (0.45) IDO1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL311478 0.76 MAPT (0.43) IDO1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3500116 0.75 GABRA2 (0.57) POLBALDH1A1KDM4EHPGDGABRA2
SCHEMBL18003369 0.74 IDO1 (0.59) IDO1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL23728644 0.74 TGFBR1 (0.54) IDO1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL29267273 0.73 IDO1 (0.42) IDO1LMNASMN1; SMN2NPC1RAB9A

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 IDO1 3104/4885LMNA 4504/4885SMN1; SMN2 907/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 IDO1 3104/4885LMNA 4504/4885SMN1; SMN2 907/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 IDO1 4047/4885LMNA 4509/4885SMN1; 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.