SCHEMBL1012504

SCHEMBL1012504

Fc1cccc2c1CCNC2C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.37
HTR2C P28335 6/20 0.37
GID4 Q8IVV7 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRCP P42785 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HTR7 P34969 1/20 0.32
OPRM1 P35372 1/20 0.32
HTR2B P41595 1/20 0.31

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
SCHEMBL1010725 0.76 MEN1 (0.39) HTR2AHTR2CGID4CHRNB2CHRNA4
SCHEMBL3052102 0.74 L3MBTL1 (0.55) HTR2CGID4PRCP
SCHEMBL1011425 0.74 PRCP (0.53) HTR2AHTR2CGID4PRCPHTR2B
SCHEMBL30218848 0.74 PRCP (0.53) HTR2AHTR2CGID4PRCPHTR2B
SCHEMBL1010683 0.73 PARP1 (0.38) HTR2CMEN1KMT2APRCPDRD2
Hydrochloric Acid SCHEMBL1124323 0.72 GAA (0.54) HTR2AHTR2CGID4PRCPHTR2B
SCHEMBL1010167 0.72 HTR2A (0.44) HTR2AHTR2CGID4CHRNB2CHRNA4
SCHEMBL29831859 0.71 TSHR (0.56) HTR2AHTR2CGID4OPRM1
SCHEMBL16058719 0.71 TSHR (0.56) HTR2AHTR2CGID4OPRM1
SCHEMBL1010696 0.70 KDM1A (0.43) HTR2AHTR2CCHRNB2CHRNA4CHRNA7

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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
EP-2295439-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2011-03-16 EP disclosed
EP-2054416-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2011-01-05 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-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015269-A1 SUBSTITUTED 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 (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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 HTR2A 133/4885HTR2C 50/4885GID4 1478/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 HTR2A 190/4885HTR2C 65/4885GID4 957/4885

“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.