SCHEMBL5362996

SCHEMBL5362996

COc1nnc2c(NC(C)C)nc3cc(CN4CCN(C)CC4)ccc3n12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
CHKA P35790 3/20 0.38
GPR6 P46095 1/20 0.38
BRD4 O60885 2/20 0.38
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.38

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
SCHEMBL5350666 0.80 CHEK1 (0.43) PDE2APDE10ACHKA
SCHEMBL10846945 0.65 LMNA (0.44) LMNASMN1; SMN2HIF1A
SCHEMBL20419258 0.63 CHKA (0.58) LMNACHKA
SCHEMBL26241293 0.59 SIGMAR1 (0.57) LMNACHKA
SCHEMBL25727252 0.59 CHKA (0.56) LMNACHKA
SCHEMBL1911878 0.59 CRHBP (0.55) LMNASMN1; SMN2CHKA
SCHEMBL12126812 0.59 CHKA (0.79) LMNASMN1; SMN2CHKA
SCHEMBL21587353 0.59 LMNA (0.62) LMNACHKA
SCHEMBL4521132 0.59 ALDH1A1 (0.46) SMN1; SMN2CHKA
SCHEMBL16485458 0.58 CHKA (0.54) CHKA

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-7202245-B2 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. (US) 2007-04-10 US disclosed
EP-1613629-A1 SUBSTITUTED 4-AMINO 1,2,4 TRIAZOLO 4,3-A QUINOXALINES Pfizer Products Inc. (US) 2006-01-11 EP disclosed
WO-2004085439-A1 SUBSTITUTED 4-AMINO[1,2,4]TRIAZOLO[4,3-A]QUINOXALINES PFIZER PRODUCTS INC. (US) 2004-10-07 WO disclosed
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. 2004-09-30 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-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines CYP4B1, CYP3A4, CYP1B1 PDE2A 342/4885PDE10A 769/4885LMNA 3553/4885

“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.