SCHEMBL1010601

SCHEMBL1010601

Cc1n[nH]cc1-c1cccc2c1CCN(C(=O)c1cc3ncc(Cl)cn3n1)C2C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.42
STAT3 P40763 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RX7 Q99572 2/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
POLB P06746 1/20 0.33
KLKB1 P03952 2/20 0.32
KMT2A Q03164 1/20 0.32
F11 P03951 1/20 0.32

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
SCHEMBL1011605 0.90 GRM5 (0.45) GRM5ALDH1A1HPGDESR1ESR2
SCHEMBL1010708 0.88 GRM5 (0.41) GRM5ALDH1A1LMNAHPGDESR1
SCHEMBL3812986 0.87 MAPK1 (0.34) GRM5MAPK1NPSR1P2RX7KLKB1
SCHEMBL1010093 0.86 DRD1 (0.43) GRM5KLKB1F11
SCHEMBL1011348 0.85 GRM5 (0.42) GRM5ALDH1A1LMNAHPGDKMT2A
SCHEMBL1011294 0.85 KLKB1 (0.45) GRM5STAT3ALDH1A1LMNAHPGD
SCHEMBL1011395 0.85 GRM5 (0.42) GRM5ALDH1A1LMNAHPGDESR1
SCHEMBL1010423 0.84 GRM5 (0.48) GRM5ALDH1A1LMNAHPGDESR1
SCHEMBL1011341 0.84 GRM5 (0.40) GRM5STAT3ALDH1A1LMNAHPGD
SCHEMBL1009690 0.84 GRM5 (0.43) GRM5STAT3ALDH1A1LMNAHPGD

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 7 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
EP-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 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
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO 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 1/4885STAT3 4263/4885ALDH1A1 2895/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 GRM5 1/4885STAT3 4215/4885ALDH1A1 3094/4885

“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.