SCHEMBL1009299

SCHEMBL1009299

CC1c2cc3occc3cc2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.47
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 2/20 0.38
ESR2 Q92731 2/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL1010064 0.89 ESR2 (0.50) GRM5KMT2AALDH1A1GAATSHR
SCHEMBL3819777 0.85 KMT2A (0.41) GRM5MEN1KMT2AALDH1A1GAA
SCHEMBL1864474 0.85 GRM5 (0.49) GRM5ALDH1A1GAATSHRHPGD
SCHEMBL1009851 0.85 GRM5 (0.48) GRM5MEN1KMT2AALDH1A1GAA
SCHEMBL1010133 0.85 GRM5 (0.48) GRM5MEN1KMT2AALDH1A1GAA
SCHEMBL1011213 0.83 GRM5 (0.45) GRM5ALDH1A1GAATSHRHPGD
SCHEMBL1009263 0.83 GRM5 (0.47) GRM5MEN1KMT2AALDH1A1GAA
SCHEMBL1010959 0.83 GRM5 (0.47) GRM5MEN1KMT2AALDH1A1GAA
SCHEMBL1010001 0.83 GRM5 (0.49) GRM5MEN1KMT2AALDH1A1GAA
SCHEMBL1011624 0.83 GRM5 (0.48) GRM5ALDH1A1HPGDLMNA

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 1/4885MEN1 2974/4885KMT2A 1880/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 GRM5 1/4885MEN1 3197/4885KMT2A 2986/4885

“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.