SCHEMBL1863986

SCHEMBL1863986

CC1c2occ(Cl)c2CCN1C(=O)c1cc2ncc(Br)cn2n1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
GRM5 P41594 14/20 0.49
ESR1 P03372 2/20 0.48
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.43
MEN1 O00255 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
SCHEMBL1870036 0.90 GRM5 (0.51) ESR2HPGDTSHRALDH1A1TDP1
SCHEMBL1868949 0.90 ESR2 (0.53) ESR2HPGDTSHRALDH1A1TDP1
SCHEMBL3816485 0.85 NPC1 (0.34) ESR2HPGDTSHRALDH1A1TDP1
SCHEMBL1863911 0.85 GRM5 (0.47) ESR2HPGDTSHRALDH1A1TDP1
SCHEMBL1869352 0.83 GRM5 (0.52) ESR2HPGDTSHRALDH1A1TDP1
SCHEMBL1871954 0.82 ALDH1A1 (0.49) ESR2HPGDTSHRALDH1A1TDP1
SCHEMBL1010777 0.82 GRM5 (0.55) ESR2HPGDTSHRALDH1A1TDP1
SCHEMBL1870636 0.81 ESR2 (0.53) ESR2HPGDTSHRALDH1A1TDP1
SCHEMBL1009983 0.80 GRM5 (0.53) ESR2HPGDTSHRALDH1A1TDP1
SCHEMBL1866659 0.80 ESR2 (0.55) ESR2HPGDTSHRALDH1A1TDP1

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 10 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
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
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-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
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
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
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 ESR2 400/4885HPGD 1780/4885TSHR 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.