SCHEMBL1869183

SCHEMBL1869183

CC1NCCc2sc(C(F)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.39
DRD2 P14416 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD3 P35462 1/20 0.39
HIF1A Q16665 1/20 0.39
DRD4 P21917 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1861697 0.78 MAOA (0.42) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL21236170 0.78 MAOA (0.42) MAOADRD2TSHRHSD17B10KDM4E
Hydrochloric Acid SCHEMBL28455304 0.77 MAOA (0.41) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL22458037 0.75 HTR2A (0.30)
SCHEMBL8028086 0.70 MAOA (0.41) MAOA
SCHEMBL2998332 0.66 PNMT (0.41) DRD2
SCHEMBL12644034 0.65 TAAR1 (0.55) DRD2
SCHEMBL12644009 0.65 KEAP1 (0.51)
SCHEMBL3406589 0.65 GID4 (0.57) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL1866928 0.65 GID4 (0.57) MAOADRD2TSHRHSD17B10KDM4E

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
US-7947689-B2 Substituted pyrazolo[1,5-a]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-05-24 US disclosed
EP-2054421-B1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2010-11-17 EP disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2054421-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
US-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015270-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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 (1 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-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM3, GRM1 MAOA 2093/4885DRD2 138/4885TSHR 279/4885

“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.