SCHEMBL1010762

SCHEMBL1010762

CC1c2c(cccc2-c2cn[nH]c2)CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.40
ROCK2 O75116 4/20 0.38
DRD1 P21728 3/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
PARP1 P09874 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
SCHEMBL1010185 0.90 GRM5 (0.49) GRM5ALDH1A1HPGD
SCHEMBL1010093 0.88 DRD1 (0.43) GRM5ROCK2DRD1
SCHEMBL3820312 0.88 ROCK2 (0.39) ROCK2DRD1MAPK1PARP1
SCHEMBL1068262 0.87 GRM5 (0.41) GRM5DRD1ALDH1A1LMNAHPGD
SCHEMBL1010708 0.86 GRM5 (0.41) GRM5DRD1ALDH1A1LMNAHPGD
SCHEMBL1011392 0.86 GRM5 (0.42) GRM5ROCK2DRD1ALDH1A1LMNA
SCHEMBL1011344 0.85 GRM5 (0.40) GRM5DRD1ALDH1A1LMNAHPGD
SCHEMBL1010913 0.85 GRM5 (0.42) GRM5ROCK2ALDH1A1LMNAHPGD
SCHEMBL1010937 0.83 GRM5 (0.40) GRM5DRD1ALDH1A1LMNAHPGD
SCHEMBL1009870 0.83 RIPK1 (0.45) GRM5DRD1ALDH1A1LMNAHPGD

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 1/4885ROCK2 1647/4885DRD1 85/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 GRM5 1/4885ROCK2 2333/4885DRD1 149/4885

“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.