SCHEMBL930018

SCHEMBL930018

O=C(c1cc2ncc(Cl)cn2n1)N1CCn2c(Cl)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.53
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ESR2 Q92731 3/20 0.44
TSHR P16473 1/20 0.44
ESR1 P03372 2/20 0.44
POLB P06746 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
P2RX7 Q99572 1/20 0.39

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
SCHEMBL929088 0.89 ALDH1A1 (0.60) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL928826 0.89 GRM5 (0.53) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL928604 0.89 GRM5 (0.53) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL930146 0.87 GRM5 (0.48) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL928831 0.85 GRM5 (0.47) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL930004 0.85 GRM5 (0.47) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL928736 0.85 GRM5 (0.47) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL929476 0.83 GRM5 (0.46) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL929875 0.83 GRM5 (0.46) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL930560 0.83 GRM5 (0.46) GRM5ALDH1A1TDP1GAAMAPT

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 2888/4885TDP1 1875/4885

“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.