SCHEMBL928652

SCHEMBL928652

CC(C)NC(=O)c1ccc2n1CCN(C(=O)c1cc3ncc(Cl)cn3n1)C2C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.42
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 3/20 0.34
ESR2 Q92731 2/20 0.34
ESR1 P03372 1/20 0.34
TACR3 P29371 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL927981 0.90 GRM5 (0.42) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL929942 0.90 TDP1 (0.48) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL930030 0.88 GRM5 (0.40) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL928728 0.88 GRM5 (0.40) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL928653 0.86 GRM5 (0.39) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL3819952 0.86 MAPT (0.34) ALDH1A1HPGDGAAMAPTKDM4E
SCHEMBL928663 0.84 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL929996 0.84 ALDH1A1 (0.49) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL930477 0.83 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL929537 0.81 GRM5 (0.47) GRM5ALDH1A1HPGDGAAMAPT

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 2888/4885HPGD 720/4885

“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.