SCHEMBL929616

SCHEMBL929616

CN1c2cc(C(F)(F)F)ccc2CCN1C(=O)c1cc2ncc(Br)cn2n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.51
TDP1 Q9NUW8 3/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ESR2 Q92731 3/20 0.48
TSHR P16473 1/20 0.48
ESR1 P03372 2/20 0.47
POLB P06746 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL931059 0.93 GRM5 (0.51) GRM5TDP1HPGDKDM4EMEN1
SCHEMBL928908 0.89 GRM5 (0.44) GRM5TDP1HPGDKDM4EMEN1
SCHEMBL928705 0.88 GRM5 (0.56) GRM5TDP1HPGDKMT2AALDH1A1
SCHEMBL928838 0.88 ALDH1A1 (0.56) GRM5TDP1HPGDKDM4EALDH1A1
SCHEMBL929975 0.87 GRM5 (0.54) GRM5TDP1HPGDKMT2AALDH1A1
SCHEMBL3814030 0.86 CNR2 (0.38) GRM5TDP1HPGDKDM4EMEN1
SCHEMBL8447816 0.86 GRM5 (0.58) GRM5TDP1HPGDKDM4EALDH1A1
SCHEMBL928811 0.84 GRM5 (0.60) GRM5TDP1HPGDKDM4EALDH1A1
SCHEMBL929617 0.84 GRM5 (0.58) GRM5TDP1HPGDKMT2AALDH1A1
SCHEMBL928910 0.83 GRM5 (0.51) GRM5TDP1HPGDKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP claimed
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
EP-2247590-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2010-11-10 EP disclosed
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 GRM5 1/4885TDP1 1875/4885HPGD 720/4885

“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.