SCHEMBL929604

SCHEMBL929604

CC(=O)Nc1cccc2c1CCN(C(=O)c1cc3ncc(Br)cn3n1)N2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.51
TDP1 Q9NUW8 6/20 0.48
POLB P06746 6/20 0.48
ALDH1A1 P00352 4/20 0.48
ESR2 Q92731 4/20 0.48
KDM4E B2RXH2 4/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NR4A1 P22736 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ESR1 P03372 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL929453 0.89 GRM5 (0.43) GRM5TDP1POLBALDH1A1ESR2
SCHEMBL929450 0.88 GRM5 (0.56) GRM5TDP1POLBALDH1A1ESR2
SCHEMBL3821305 0.86 GRM5 (0.36) GRM5TDP1POLBALDH1A1ESR2
SCHEMBL930134 0.86 GRM5 (0.54) GRM5TDP1POLBALDH1A1ESR2
SCHEMBL929479 0.86 GRM5 (0.53) GRM5TDP1POLBALDH1A1ESR2
SCHEMBL929663 0.85 ALDH1A1 (0.55) GRM5TDP1POLBALDH1A1ESR2
SCHEMBL8458017 0.85 GRM5 (0.54) GRM5TDP1POLBALDH1A1ESR2
SCHEMBL928228 0.84 GRM5 (0.52) GRM5TDP1POLBALDH1A1ESR2
SCHEMBL928362 0.83 GRM5 (0.51) GRM5TDP1POLBALDH1A1ESR2
SCHEMBL931463 0.83 GRM5 (0.51) GRM5TDP1POLBALDH1A1ESR2

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 1875/4885POLB 4564/4885

“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.