SCHEMBL8030274

SCHEMBL8030274

CN1CCn2c(C#N)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
AR P10275 1/20 0.32
RAB9A P51151 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
OPRM1 P35372 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL8024335 0.72 DRD3 (0.37) DRD3DRD2DRD4MAOAMAOB
SCHEMBL8027397 0.71 MAOA (0.38) DRD3DRD2DRD4MAOAMAOB
SCHEMBL25091071 0.68 MC4R (0.35) DRD3DRD2DRD4MAOAMAOB
SCHEMBL15432284 0.68 CHEK1 (0.32)
SCHEMBL928521 0.67 HTR2C (0.41) DRD3DRD2DRD4HTR2AHTR2C
SCHEMBL12559520 0.67 ACHE (0.43) DRD3DRD2DRD4MAOAMAOB
SCHEMBL25121973 0.64 HRH4 (0.30) HRH4
SCHEMBL11923502 0.64 MAOA (0.35) DRD3DRD2DRD4MAOAMAOB
SCHEMBL29799841 0.63 DRD3 (0.36) DRD3DRD2DRD4
SCHEMBL8025808 0.62 HTR6 (0.40) DRD2HRH4

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 DRD3 1009/4885DRD2 567/4885DRD4 545/4885

“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.