SCHEMBL5459565

SCHEMBL5459565

Nc1cc(=O)[nH]c2ccnn12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 3/20 0.37
HPGD P15428 2/20 0.37
CHEK1 O14757 2/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36

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
SCHEMBL5461696 0.69 NPC1 (0.56) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL25160077 0.68 KMT2A (0.37) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL21754381 0.67
SCHEMBL2490713 0.67 TSHR (0.50) ALDH1A1CYP3A4HPGDCHEK1AURKA
SCHEMBL6288469 0.66 PSMB8 (0.36) ALDH1A1HPGDRPS6KA3ROCK1KMT2A
SCHEMBL12953265 0.64 DAO (0.35) ALDH1A1GSK3BCDK7CDK9TSHR
SCHEMBL20515291 0.64 KDM4E (0.43) KMT2AMEN1SMN1; SMN2
SCHEMBL12953790 0.64 ALDH1A1 (0.42) ALDH1A1HPGDL3MBTL1BLMPOLB
SCHEMBL2041629 0.64
SCHEMBL13885282 0.64 PARP1 (0.41) ALDH1A1CHEK1JAK2CSF1RMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6379395-B1 DYEING FOR HAIR DYE L'OREAL S.A. (FR) 2002-04-30 US claimed
EP-0888109-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-PYRIMIDINEOXO COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHODS OREAL (FR) 2000-08-30 EP claimed
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
US-6379395-B1 DYEING FOR HAIR DYE L'OREAL S.A. (FR) 2002-04-30 US disclosed
US-6179882-B1 OXIDATION COLOR DYES L'OREAL (FR) 2001-01-30 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-20070060595-A1 Novel fused heterocyclic compound and use thereof JUN, CHUK, RELA ALDH1A1 677/4885CYP3A4 2265/4885HPGD 2405/4885

“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.