SCHEMBL313268

SCHEMBL313268

O=C(O)c1cnn2ccc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
CAMKK1 Q8N5S9 1/20 0.50
CAMKK2 Q96RR4 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TGFBR1 P36897 3/20 0.47
KMO O15229 1/20 0.46
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL29220715 0.87 CAMKK1 (0.59) SMN1; SMN2MAPTLMNACAMKK1CAMKK2
SCHEMBL312787 0.82 TGFBR1 (0.55) SMN1; SMN2MAPTLMNAPOLBNPC1
SCHEMBL312326 0.82 TGFBR1 (0.52) SMN1; SMN2MAPTLMNAPOLBCAMKK1
SCHEMBL17781194 0.81 TGFBR1 (0.53) CAMKK1CAMKK2TGFBR1KDM4EDHODH
SCHEMBL461050 0.79 FLT3 (0.44) SMN1; SMN2TGFBR1KDM4EDHODH
SCHEMBL29220717 0.77 KDM4E (0.55) CAMKK1CAMKK2MEN1KMT2ATGFBR1
SCHEMBL5036200 0.76 KDM4E (0.54) SMN1; SMN2MAPTLMNAPOLBNPC1
SCHEMBL32686101 0.76 TGFBR1 (0.46) CAMKK1CAMKK2TGFBR1
SCHEMBL313356 0.75 KDM4E (0.53) SMN1; SMN2MAPTLMNAPOLBNPC1
SCHEMBL17781046 0.75 TGFBR1 (0.47) SMN1; SMN2MAPTCAMKK1CAMKK2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO claimed
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
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 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
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 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 (4 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 SMN1; SMN2 907/4885MAPT 1112/4885LMNA 4504/4885
US-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 SMN1; SMN2 500/4885MAPT 844/4885LMNA 3979/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 SMN1; SMN2 907/4885MAPT 1112/4885LMNA 4504/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 SMN1; SMN2 1131/4885MAPT 1442/4885LMNA 4509/4885

“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.