SCHEMBL5356006

SCHEMBL5356006

O=c1[nH]nc2c(NCCNc3nc4ccccc4o3)nc3ccc(Cl)cc3n12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
CSNK1D P48730 1/20 0.37
BRD4 O60885 3/20 0.36
HDAC1 Q13547 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL5429671 0.81 ADORA1 (0.77) ADORA1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5355187 0.80 ADORA1 (0.52) ADORA1CSNK1DBRD4RAB9ANPC1
SCHEMBL5730932 0.71 ADORA1 (0.45) ADORA1SMN1; SMN2
SCHEMBL7352385 0.70 CUL4A (0.48) ADORA1ALDH1A1
SCHEMBL5356547 0.70 ADORA1 (0.54) ADORA1BRD4RAB9ANPC1KMT2A
SCHEMBL5361972 0.69 ADORA1 (0.53) ADORA1BRD4
SCHEMBL5355423 0.69 ADORA1 (0.53) ADORA1BRD4RAB9ANPC1SMN1; SMN2
SCHEMBL5357433 0.69 ADORA1 (0.53) ADORA1CSNK1DBRD4
SCHEMBL5362434 0.69 ADORA1 (0.77) ADORA1BRD4RAB9ANPC1MAPT
SCHEMBL5356501 0.69 ADORA1 (0.52) ADORA1BRD4RAB9ANPC1MAPT

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 claimed
EP-1613629-A1 SUBSTITUTED 4-AMINO 1,2,4 TRIAZOLO 4,3-A QUINOXALINES Pfizer Products Inc. (US) 2006-01-11 EP claimed
WO-2004085439-A1 SUBSTITUTED 4-AMINO[1,2,4]TRIAZOLO[4,3-A]QUINOXALINES PFIZER PRODUCTS INC. (US) 2004-10-07 WO claimed
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. 2004-09-30 US claimed

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 ADORA1 12/4885CSNK1D 319/4885BRD4 784/4885

“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.