SCHEMBL928562

SCHEMBL928562

CC1NCCn2c(-c3ccsc3)nnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.52
HTR6 P50406 5/20 0.36
DRD2 P14416 4/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
P2RX7 Q99572 1/20 0.34
HTR1D P28221 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
HTR5A P47898 1/20 0.33
CYP2A6 P11509 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
DRD3 P35462 1/20 0.31
BRD4 O60885 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL928185 0.82 TACR3 (0.57) TACR3P2RX7KDM4EALDH1A1SMN1; SMN2
SCHEMBL929725 0.78 TACR3 (0.52) TACR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL8026959 0.76 DRD2 (0.40) TACR3HTR6DRD2CHRM2CHRM4
SCHEMBL929542 0.75 TACR3 (0.59) TACR3P2RX7
SCHEMBL930711 0.75 TACR3 (0.59) TACR3HTR6DRD2CHRM2CHRM4
SCHEMBL928296 0.74 CHRM2 (0.38) HTR6DRD2CHRM2CHRM4CHRM5
SCHEMBL25267697 0.74 TACR3 (0.51) TACR3P2RX7DRD3
SCHEMBL14850774 0.74 TACR3 (0.57) TACR3KDM4EALDH1A1MAPK1
SCHEMBL14845067 0.74 TACR3 (0.54) TACR3P2RX7
SCHEMBL14850761 0.74 TACR3 (0.57) TACR3KDM4EALDH1A1MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
EP-2247590-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2010-11-10 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
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP 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 (1 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 TACR3 486/4885HTR6 300/4885DRD2 567/4885

“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.