SCHEMBL8030446

SCHEMBL8030446

CN1CCn2c(nnc2-c2ccccn2)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 13/20 0.61
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
P2RX7 Q99572 6/20 0.52
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8027380 0.81 P2RX7 (0.54) TACR3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16291251 0.80 TACR3 (0.62) TACR3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16281086 0.80 HPGD (0.56) TACR3P2RX7TSHR
SCHEMBL25679141 0.77 TACR3 (0.58) TACR3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8025160 0.76 P2RX7 (0.41) TACR3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2568980 0.76 TACR3 (1.00) TACR3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8028690 0.75 P2RX7 (0.43) TACR3CYP1A2CYP2C9CYP2C19P2RX7
SCHEMBL14635122 0.75 TACR3 (1.00) TACR3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL106779 0.75 TACR3 (0.52) TACR3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8034503 0.75 SMN1; SMN2 (0.40) TACR3CYP1A2P2RX7NPC1TP53

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 TACR3 486/4885CYP1A2 1224/4885CYP2D6 625/4885

“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.