Sugi Predict

Sugi Predict / Compounds / SCHEMBL1012541

SCHEMBL1012541

SCHEMBL1012541

CC(=O)c1cccc2c1CCN(C(=O)c1cc3ncc(Cl)cn3n1)C2C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 9/20 0.44
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ESR2 Q92731 3/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ P2RX7 Q99572 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ DRD1 P21728 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
SCHEMBL4081280 0.93 GRM5 (0.44) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1010530 0.90 GRM5 (0.43) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1013119 0.90 GRM5 (0.44) GRM5ALDH1A1HPGDLMNAPOLB
SCHEMBL1009118 0.90 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1010440 0.89 GRM5 (0.50) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1010766 0.89 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1010423 0.89 GRM5 (0.48) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1010289 0.88 GRM5 (0.45) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1012747 0.88 ESR2 (0.48) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL1011045 0.86 GRM5 (0.43) GRM5ALDH1A1HPGDLMNAESR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 — — US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 — — US disclosed
EP-2295439-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2011-03-16 — — EP disclosed
EP-2054416-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2011-01-05 — — EP disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 — — US 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 (2 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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 GRM5 1/4885ALDH1A1 2895/4885HPGD 1897/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 GRM5 1/4885ALDH1A1 3094/4885HPGD 1267/4885

“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.