SCHEMBL929360

SCHEMBL929360

O=C(c1cc2ncc(Cl)cn2n1)N1CCn2c(ccc2-c2cccs2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.49
ALDH1A1 P00352 5/20 0.40
ESR2 Q92731 3/20 0.40
ESR1 P03372 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 4/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
TACR3 P29371 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL930266 0.89 GRM5 (0.54) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3812961 0.85 LMNA (0.39) ALDH1A1POLBMAPTHPGDKDM4E
SCHEMBL928831 0.84 GRM5 (0.47) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL929452 0.84 GRM5 (0.47) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL928104 0.83 GRM5 (0.51) GRM5TACR3
SCHEMBL929476 0.83 GRM5 (0.46) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL930560 0.83 GRM5 (0.46) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL930018 0.83 GRM5 (0.53) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL928736 0.83 GRM5 (0.47) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL929581 0.82 ALDH1A1 (0.52) GRM5ALDH1A1ESR2ESR1POLB

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.