SCHEMBL930508

SCHEMBL930508

CCOC(=O)c1cn2c(n1)CN(C(=O)c1cc3ncc(Cl)cn3n1)CC2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.52
SMO Q99835 2/20 0.47
ESR2 Q92731 3/20 0.44
KMT2A Q03164 2/20 0.44
ESR1 P03372 2/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL928595 0.89 ESR2 (0.56) GRM5ESR2KMT2AESR1ALDH1A1
SCHEMBL927860 0.86 GRM5 (0.61) GRM5ESR2ESR1ALDH1A1KDM4E
SCHEMBL3813047 0.84 SMO (0.44) SMOKMT2ALMNAALDH1A1KDM4E
SCHEMBL929375 0.83 GRM5 (0.49) GRM5ESR2KMT2AESR1LMNA
SCHEMBL929393 0.80 GRM5 (0.45) GRM5SMOESR2KMT2AESR1
SCHEMBL1077910 0.80 LMNA (0.49) GRM5ESR2KMT2AESR1LMNA
SCHEMBL929838 0.78 GRM5 (0.55) GRM5ESR2ESR1ALDH1A1KDM4E
SCHEMBL3813487 0.77 GABRG2 (0.43) GRM5SMOESR2KMT2AESR1
SCHEMBL927967 0.77 GRM5 (0.56) GRM5ESR2ESR1ALDH1A1KDM4E
SCHEMBL929415 0.77 GRM5 (0.57) GRM5ESR2ESR1ALDH1A1KDM4E

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 1/4885SMO 2884/4885ESR2 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.