SCHEMBL8030441

SCHEMBL8030441

CN1CCn2c(ccc2-c2ccncn2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.40
P2RX7 Q99572 5/20 0.34
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
MAP4K4 O95819 1/20 0.32
EGFR P00533 1/20 0.32
FRK P42685 1/20 0.32
MAPK9 P45984 1/20 0.32
CSNK1A1 P48729 1/20 0.32
GRM5 P41594 1/20 0.31
CYP2D6 P10635 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
SCHEMBL8034503 0.81 SMN1; SMN2 (0.40) P2RX7
SCHEMBL12905227 0.78 GAA (0.38) MAPK11MAPK14
SCHEMBL8027380 0.75 P2RX7 (0.54) GSK3BP2RX7CYP2D6
SCHEMBL929336 0.75 HTR2A (0.36) GSK3BP2RX7GRM5
SCHEMBL8032093 0.71 GSK3B (0.36) GSK3BP2RX7MAPK11MAPK14CYP2D6
SCHEMBL8028928 0.71 CYP1A2 (0.47) CYP2D6
SCHEMBL928570 0.66 GSK3B (0.36) GSK3B
SCHEMBL8030436 0.66
SCHEMBL8025808 0.65 HTR6 (0.40)
SCHEMBL8011487 0.65 ALDH1A1 (0.38)

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 GSK3B 2860/4885P2RX7 71/4885MAPK11 1447/4885

“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.