SCHEMBL1010923

SCHEMBL1010923

CC1NCCc2ccc(-c3nn[nH]n3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ADH5 P11766 1/20 0.44
CYP2C9 P11712 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DRD2 P14416 2/20 0.43
KDM4E B2RXH2 1/20 0.43
DRD3 P35462 1/20 0.43
HIF1A Q16665 1/20 0.43
DRD4 P21917 1/20 0.43
TP53 P04637 2/20 0.40
GP6 Q9HCN6 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1487623 0.89 MAOA (0.44) MAOATSHRALDH1A1ADH5CYP2C9
SCHEMBL8026339 0.76 CHEK1 (0.46) MAOAALDH1A1ADH5CYP2C9HSD17B10
SCHEMBL1011356 0.74 MAOA (0.47) MAOATSHRALDH1A1CYP2C9HSD17B10
SCHEMBL1009552 0.73 MAOA (0.46) MAOATSHRALDH1A1CYP2C9HSD17B10
SCHEMBL1013010 0.73 KDM1A (0.47) MAOATSHRCYP2C9HSD17B10DRD2
SCHEMBL1010701 0.73 ADH5 (0.41) ALDH1A1ADH5CYP2C9HSD17B10LMNA
SCHEMBL1011843 0.72 MAOA (0.43) MAOATSHRALDH1A1CYP2C9HSD17B10
SCHEMBL1011322 0.71 MAOA (0.46) MAOATSHRALDH1A1CYP2C9HSD17B10
SCHEMBL1013445 0.70 MEN1 (0.46) ALDH1A1TDP1KDM4EIDO1
SCHEMBL1010715 0.70 MAOA (0.43) MAOATSHRALDH1A1CYP2C9HSD17B10

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 MAOA 3070/4885TSHR 609/4885ALDH1A1 2895/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 MAOA 2896/4885TSHR 925/4885ALDH1A1 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.