SCHEMBL3351938

SCHEMBL3351938

N[C@@H]1CCN(c2cnc3nnn(CCc4ccc5ncccc5c4)c3n2)C1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.84
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CYP2C9 P11712 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL2569977 0.91 MET (1.00) MET
SCHEMBL2569982 0.91 MET (1.00) MET
SCHEMBL13315292 0.86 MET (0.90) MET
SCHEMBL13315293 0.86 MET (0.90) MET
Hydrochloric Acid SCHEMBL2570649 0.85 MET (0.88) MET
Hydrochloric Acid SCHEMBL2570652 0.85 MET (0.88) MET
Hydrochloric Acid SCHEMBL2572528 0.85 MET (0.88) MET
SCHEMBL2575068 0.81 MET (0.81) MET
SCHEMBL2571830 0.80 MET (1.00) MET
SCHEMBL2588320 0.80 MET (1.00) MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105656-A1 TRIAZOLOPYRAZINE DERIVATIVES PFIZER INC. 2010-04-29 US 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-20100105656-A1 TRIAZOLOPYRAZINE DERIVATIVES JAK2, ABL1, CCND2 MET 2876/4885KCNH2 361/4885HRH3 155/4885

“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.