SCHEMBL1924017

SCHEMBL1924017

Cc1cc(-c2ncn3c(C(F)(F)F)cc(-c4cccc(Cl)c4Cl)nc23)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
P2RX7 Q99572 1/20 0.36
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 2/20 0.35
GRM2 Q14416 5/20 0.34
IDO1 P14902 1/20 0.34
RORA P35398 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
CNR2 P34972 1/20 0.33
NUDT1 P36639 1/20 0.33
TDO2 P48775 2/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
ADORA2A P29274 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL1925241 0.88 PIK3CD (0.39) PDK2P2RX7PDE2APDE10ACNR2
SCHEMBL1924866 0.83 NPC1 (0.38) PDK2P2RX7CNR2ADORA2A
SCHEMBL1924025 0.83 TP53 (0.48) PDK2GRM2MAPK1MAPTADORA2A
SCHEMBL1924659 0.82 GRM2 (0.44) GRM2
SCHEMBL1926736 0.82 KMO (0.41) GRM2TDO2ADORA2A
SCHEMBL1925727 0.81 GRM2 (0.45) GRM2TDO2MAPK1
SCHEMBL1925786 0.80 S1PR1 (0.40) PDK2GRM2
SCHEMBL1924658 0.79 PSEN1 (0.37) PDK2GRM2TDO2MAPK1MAPT
SCHEMBL1924522 0.79 TP53 (0.44) PDK2GRM2MAPK1MAPTADORA2A
SCHEMBL1925912 0.77 GRM2 (0.46) PDK2GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670801-B1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-7514443-B2 Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
US-20080051421-A1 Pyrazolo-pyridine WICHMANN JUERGEN 2008-02-28 US disclosed
US-7329662-B2 Pyrazolo-pyridine HOFFMANN-LA ROCHE INC. (US) 2008-02-12 US disclosed
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 EP disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 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-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR PDK2 160/4885P2RX7 19/4885PDE2A 155/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR PDK2 160/4885P2RX7 19/4885PDE2A 155/4885

“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.