SCHEMBL1013119

SCHEMBL1013119

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
MGLL Q99685 4/20 0.36
STAT3 P40763 1/20 0.36
F11 P03951 3/20 0.36
DRD3 P35462 1/20 0.36
HTR5A P47898 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KLKB1 P03952 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
SCHEMBL1012541 0.90 GRM5 (0.44) GRM5LMNAPOLBTDP1DRD1
SCHEMBL4081280 0.90 GRM5 (0.44) GRM5LMNAPOLBTDP1DRD2
SCHEMBL1011128 0.90 TDP1 (0.55) GRM5LMNAPOLBTDP1ALDH1A1
SCHEMBL1010530 0.88 GRM5 (0.43) GRM5LMNAPOLBTDP1F11
SCHEMBL1009118 0.87 GRM5 (0.46) GRM5LMNAPOLBTDP1DRD1
SCHEMBL1010766 0.86 GRM5 (0.46) GRM5LMNAPOLBTDP1F11
SCHEMBL1010423 0.86 GRM5 (0.48) GRM5LMNAPOLBTDP1ALDH1A1
SCHEMBL3819241 0.86 TP53 (0.41) POLBTDP1DRD2DRD4DRD1
SCHEMBL1010289 0.85 GRM5 (0.45) GRM5LMNAPOLBTDP1STAT3
SCHEMBL1012747 0.85 ESR2 (0.48) GRM5LMNAPOLBTDP1F11

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 4 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-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 1/4885LMNA 4689/4885POLB 4548/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 GRM5 1/4885LMNA 4408/4885POLB 4006/4885

“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.