SCHEMBL8028635

SCHEMBL8028635

CC1c2nnc(-c3cccnc3)n2CCN1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
GAA P10253 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP11B2 P19099 2/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL8026949 0.84 SMN1; SMN2 (0.38) GAAALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL12905262 0.82 TACR3 (0.34) CYP1A2CYP3A4
SCHEMBL929293 0.77 TACR3 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8032051 0.77 TACR3 (0.49) CYP1A2CYP3A4CYP2A6
SCHEMBL8034506 0.75 CYP3A4 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8027377 0.74 TACR3 (0.42)
SCHEMBL8026959 0.73 DRD2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8011221 0.73 CYP1A2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8028692 0.73 TACR3 (0.47) CYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL8025237 0.72 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10KDM4E

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 4 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
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
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

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 CHRM2 1363/4885CHRM4 449/4885CHRM5 87/4885

“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.