SCHEMBL930967

SCHEMBL930967

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.46
ALDH1A1 P00352 5/20 0.37
ESR1 P03372 2/20 0.37
POLB P06746 2/20 0.37
ESR2 Q92731 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
TACR3 P29371 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
SCHEMBL928524 0.89 GRM5 (0.55) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL927271 0.89 GRM5 (0.47) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL928186 0.88 GRM5 (0.48) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL927999 0.88 GRM5 (0.48) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL929497 0.87 GRM5 (0.46) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL3819257 0.86 CYP1A2 (0.37) ALDH1A1POLBGAAMAPTHPGD
SCHEMBL930135 0.85 GRM5 (0.46) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL929608 0.84 GRM5 (0.44) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL930162 0.84 GRM5 (0.44) GRM5ALDH1A1ESR1POLBESR2
SCHEMBL930202 0.84 GRM5 (0.43) GRM5ALDH1A1ESR1POLBESR2

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 2888/4885ESR1 3004/4885

“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.