SCHEMBL1009945

SCHEMBL1009945

COC(=O)c1n[nH]c(N)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.52
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 4/20 0.46
STAT3 P40763 1/20 0.46
HIF1A Q16665 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 7/20 0.39
GAA P10253 3/20 0.39
GFER P55789 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 4/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PKM P14618 2/20 0.33
F2 P00734 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL11089588 0.82 KDM4C (0.50) KDM4CNPSR1KDM4ESTAT3HIF1A
SCHEMBL6993979 0.82 KDM4C (0.65) KDM4CNPSR1KDM4ESTAT3HIF1A
SCHEMBL22424292 0.81 KDM4C (0.49) KDM4CNPSR1KDM4ESTAT3HIF1A
SCHEMBL4714263 0.81 KDM4C (0.49) KDM4CNPSR1KDM4ESTAT3HIF1A
SCHEMBL6993983 0.79 KDM4C (0.56) KDM4CNPSR1KDM4ESTAT3HIF1A
SCHEMBL6689443 0.78 KDM4C (0.46) KDM4CNPSR1KDM4ESTAT3HIF1A
SCHEMBL5767590 0.74 ALDH1A1 (0.46) KDM4CNPSR1KDM4ESTAT3HIF1A
SCHEMBL3699537 0.72 TSHR (0.46) KDM4CNPSR1KDM4ESTAT3HIF1A
SCHEMBL8317037 0.71 KDM4C (0.40) KDM4CNPSR1KDM4ESTAT3HIF1A
SCHEMBL31459515 0.71 KDM4C (0.50) KDM4CNPSR1KDM4ESTAT3HIF1A

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 14 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
US-7947689-B2 Substituted pyrazolo[1,5-a]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-05-24 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-2054421-B1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2010-11-17 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
EP-2054421-A1 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
US-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO 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
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
WO-2008015270-A1 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 (4 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 KDM4C 1338/4885NPSR1 440/4885KDM4E 1101/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 KDM4C 1702/4885NPSR1 387/4885KDM4E 1357/4885
US-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM3, GRM1 KDM4C 2640/4885NPSR1 681/4885KDM4E 1834/4885
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 KDM4C 2540/4885NPSR1 797/4885KDM4E 1401/4885

“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.