SCHEMBL209074

SCHEMBL209074

Fc1ccc2ccn[c]c2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
AHR P35869 1/20 0.32
TRPA1 O75762 3/20 0.32
NPC1 O15118 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL206485 0.83 BACE1 (0.38) BACE1CYP1A2CYP2A6AHRTRPA1
SCHEMBL208536 0.75 NR4A2 (0.38) BACE1CYP2A6AHR
SCHEMBL2358946 0.75 CYP1A2 (0.42) BACE1CYP1A2CYP2A6KDM4EALDH1A1
SCHEMBL1450911 0.75 MEN1 (0.38) CYP1A2NPC1KDM4EALDH1A1GAA
SCHEMBL208082 0.75 BACE1 (0.38) BACE1CYP1A2CYP2A6AHRKDM4E
SCHEMBL15670712 0.75 BACE1 (0.43) BACE1KDM4E
SCHEMBL577221 0.71 ALDH1A1 (0.36) TRPA1ALDH1A1
SCHEMBL28538426 0.71 BACE1 (0.47) BACE1NPC1KDM4EMAPTALDH1A1
SCHEMBL15512385 0.71 ALDH1A1 (0.35) CYP1A2NPC1MAPTALDH1A1GAA
SCHEMBL208799 0.71 HDAC8 (0.34)

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-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
WO-2006090272-A1 ISOQUINOLINE [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-08-31 WO 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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 BACE1 2201/4885CYP1A2 95/4885CYP2A6 246/4885

“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.