SCHEMBL5357643

SCHEMBL5357643

COc1nnc2c(Cl)nc3ccccc3n12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.58
PDE2A O00408 9/20 0.49
PDE10A Q9Y233 9/20 0.49
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14054628 0.83 PDE2A (0.68) PDE2APDE10AALDH1A1CYP1A2CYP2C9
SCHEMBL5359497 0.82 PDE2A (0.53) PDE2APDE10A
SCHEMBL5353002 0.80 PDE2A (0.50) TYMSPDE2APDE10AALDH1A1MAPT
SCHEMBL5351286 0.80 PDE2A (0.51) PDE2APDE10A
SCHEMBL7340914 0.80 TYMS (0.68) TYMSALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10845633 0.76 TYMS (0.58) TYMSPDE2APDE10AMEN1POLB
SCHEMBL7340895 0.76 HTR2C (0.66) TYMSALDH1A1MAPTMEN1KMT2A
SCHEMBL5350634 0.75 KDM4E (0.47) PDE2APDE10AALDH1A1MAPTHSD17B10
SCHEMBL14765068 0.75 PDE2A (0.77) TYMSPDE2APDE10A
SCHEMBL19786607 0.75 TYMS (0.60) TYMSPDE2APDE10AALDH1A1MAPT

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 TYMS 712/4885PDE2A 342/4885PDE10A 769/4885

“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.