SCHEMBL1010997

SCHEMBL1010997

COC(=O)c1ccc2c(c1)C(C)N(C(=O)c1cc3ncc(Cl)cn3n1)CC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
F11 P03951 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
SCHEMBL1010824 0.94 GRM5 (0.45) GRM5MEN1KMT2ALMNAALDH1A1
SCHEMBL1010734 0.90 GRM5 (0.54) GRM5KMT2ALMNAALDH1A1HPGD
SCHEMBL4080116 0.90 GRM5 (0.46) GRM5MEN1KMT2ALMNAALDH1A1
SCHEMBL1010133 0.88 GRM5 (0.48) GRM5MEN1KMT2ALMNAALDH1A1
SCHEMBL1008965 0.87 GRM5 (0.47) GRM5MEN1KMT2ALMNAALDH1A1
SCHEMBL1010001 0.86 GRM5 (0.49) GRM5MEN1KMT2ALMNAALDH1A1
SCHEMBL3821163 0.85 KMT2A (0.43) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL1011254 0.85 HPGD (0.49) GRM5MEN1KMT2AALDH1A1HPGD
SCHEMBL1010117 0.85 GRM5 (0.46) GRM5MEN1KMT2ALMNAALDH1A1
SCHEMBL1009049 0.85 GRM5 (0.51) GRM5LMNAALDH1A1HPGDPOLB

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 1/4885MEN1 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.