SCHEMBL928524

SCHEMBL928524

COc1cccc2c1N(C)N(C(=O)c1cc3ncc(Br)cn3n1)CC2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.55
ALDH1A1 P00352 3/20 0.49
ESR2 Q92731 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
POLB P06746 3/20 0.49
ESR1 P03372 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL929970 0.89 GRM5 (0.59) GRM5ALDH1A1ESR2TDP1POLB
SCHEMBL930967 0.89 GRM5 (0.46) GRM5ALDH1A1ESR2TDP1POLB
SCHEMBL929349 0.88 GRM5 (0.57) GRM5ALDH1A1ESR2TDP1POLB
SCHEMBL8458759 0.87 GRM5 (0.56) GRM5ALDH1A1ESR2TDP1POLB
SCHEMBL928643 0.87 GRM5 (0.56) GRM5ALDH1A1ESR2TDP1POLB
SCHEMBL3816355 0.86 GRM5 (0.40) GRM5ALDH1A1ESR2TDP1POLB
SCHEMBL928228 0.85 GRM5 (0.52) GRM5ALDH1A1ESR2TDP1POLB
SCHEMBL928802 0.84 GRM5 (0.54) GRM5ALDH1A1ESR2TDP1POLB
SCHEMBL928889 0.84 GRM5 (0.54) GRM5ALDH1A1ESR2TDP1POLB
SCHEMBL929479 0.84 GRM5 (0.53) GRM5ALDH1A1ESR2TDP1POLB

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 1/4885ALDH1A1 2888/4885ESR2 3474/4885

“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.