SCHEMBL928677

SCHEMBL928677

Cc1cnc2n1CCN(C(=O)c1cc3ncc(Cl)cn3n1)C2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.48
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ESR2 Q92731 2/20 0.38
TSHR P16473 1/20 0.38
ESR1 P03372 1/20 0.36
KMT2A Q03164 1/20 0.36
TACR3 P29371 5/20 0.36
TACR1 P25103 3/20 0.36
TACR2 P21452 3/20 0.36
KCNH2 Q12809 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL929409 0.88 ALDH1A1 (0.54) GRM5ALDH1A1HPGDGAAMAPT
SCHEMBL930031 0.87 GRM5 (0.47) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL929996 0.85 ALDH1A1 (0.49) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL3815452 0.85 TACR3 (0.39) MAPTTACR3TACR1TACR2KCNH2
SCHEMBL928485 0.84 GRM5 (0.44) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL928769 0.83 GRM5 (0.52) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL928665 0.83 GRM5 (0.44) GRM5TACR3TACR1TACR2KCNH2
SCHEMBL928617 0.83 TACR3 (0.44) GRM5TACR3TACR1TACR2KCNH2
SCHEMBL930010 0.82 GRM5 (0.40) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL928725 0.82 GRM5 (0.48) GRM5ALDH1A1HPGDLMNAGAA

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.