SCHEMBL1013445

SCHEMBL1013445

CC1NCCc2cccc(-c3nn[nH]n3)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.44
KCNK2 O95069 1/20 0.43
KCNK10 P57789 1/20 0.43
KCNK18 Q7Z418 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PBRM1 Q86U86 1/20 0.41
IDO1 P14902 1/20 0.41
LDHA P00338 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
XDH P47989 1/20 0.38
PARP1 P09874 1/20 0.38
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
CREBBP Q92793 1/20 0.37
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL1010457 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL8024853 0.76 MEN1 (0.44) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL1487623 0.73 MAOA (0.44) ALDH1A1TDP1IDO1KDM4EXDH
SCHEMBL1011227 0.73 AURKA (0.39) PARP1CREBBP
SCHEMBL1011572 0.73 DRD2 (0.39) PARP1
SCHEMBL1011217 0.71 PARP1 (0.39) PARP1
SCHEMBL1010923 0.70 MAOA (0.44) ALDH1A1TDP1IDO1KDM4E
SCHEMBL7818489 0.70 HTR2C (0.42) KDM4EPARP1
SCHEMBL19684816 0.70 HTR2C (0.42) KDM4EPARP1
SCHEMBL19684822 0.70 HTR2C (0.42) KDM4EPARP1

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 9 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-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO 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 MEN1 2974/4885KMT2A 1880/4885ALDH1A1 2895/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 MEN1 3197/4885KMT2A 2986/4885ALDH1A1 3094/4885

“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.