SCHEMBL5456804

SCHEMBL5456804

Cc1ccc2nc(N)cc(N)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.55
NCK1 P16333 1/20 0.55
LMNA P02545 3/20 0.47
ACHE P22303 5/20 0.46
BCHE P06276 4/20 0.46
GRIN1 Q05586 4/20 0.46
GRIN2A Q12879 4/20 0.46
ELANE P08246 1/20 0.44
NCF1 P14598 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAD52 P43351 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA2A P29274 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL438604 0.84 NCF1 (0.63) LMNANCF1ALDH1A1CASP1CASP7
SCHEMBL9724255 0.84 BACE1 (0.63) BACE1NCK1LMNAACHEBCHE
SCHEMBL11399020 0.81 BACE1 (0.52) BACE1NCK1LMNAACHEBCHE
SCHEMBL17827033 0.81 LMNA (0.68) BACE1NCK1LMNAACHEBCHE
SCHEMBL28086396 0.81 LMNA (0.44) BACE1NCK1LMNAACHEBCHE
SCHEMBL28476846 0.79 PLAU (0.52) BACE1LMNAACHENCF1SMN1; SMN2
SCHEMBL9381975 0.78 BACE1 (0.49) BACE1NCK1LMNAACHEBCHE
SCHEMBL8234615 0.77 ADRB2 (0.55) BACE1NCK1LMNAACHEBCHE
SCHEMBL25449350 0.76 BACE1 (0.44) BACE1ACHEBCHENCF1ALDH1A1
SCHEMBL323374 0.72 NCF1 (0.64) BACE1LMNAACHENCF1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060595-A1 Novel fused heterocyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 US disclosed
EP-1671962-A1 NOVEL FUSED HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-21 EP 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-20070060595-A1 Novel fused heterocyclic compound and use thereof JUN, CHUK, RELA BACE1 757/4885NCK1 1302/4885LMNA 4382/4885

“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.