SCHEMBL1010683

SCHEMBL1010683

Fc1cccc2c1C(C(F)(F)F)NCC2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
PRCP P42785 3/20 0.37
DRD3 P35462 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PNMT P11086 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2C P28335 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1010276 0.76 HTR2C (0.41) PARP1PRCPDRD3MEN1KMT2A
SCHEMBL3062542 0.74 KDM1A (0.52) PRCPMEN1KMT2AHTR2CGAA
SCHEMBL30218848 0.74 PRCP (0.53) PRCPPNMTHTR2CGAA
SCHEMBL1011425 0.74 PRCP (0.53) PRCPPNMTHTR2CGAA
SCHEMBL1012504 0.73 HTR2A (0.37) PRCPDRD3MEN1KMT2AOPRM1
Hydrochloric Acid SCHEMBL1124323 0.72 GAA (0.54) PRCPPNMTHTR2CGAA
SCHEMBL1009717 0.72 PRCP (0.42) PARP1PRCPDRD3MEN1KMT2A
SCHEMBL6206852 0.71 PRCP (0.61) PRCPMEN1KMT2AOPRM1GAA
SCHEMBL1010696 0.70 KDM1A (0.43) PARP1PRCPMEN1KMT2AOPRM1
SCHEMBL1011354 0.67 HTR2A (0.51) PARP1PRCPOPRM1HTR2C

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 PARP1 4127/4885PRCP 2270/4885DRD3 78/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 PARP1 3821/4885PRCP 2427/4885DRD3 141/4885

“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.