SCHEMBL208799

SCHEMBL208799

C#Cc1ccc2ccn[c]c2c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.34
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TYMS P04818 1/20 0.31
MAP3K14 Q99558 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
SCHEMBL207876 0.85 HDAC8 (0.34) HDAC8CDC7CDK2CYP1A1CYP1B1
SCHEMBL209074 0.71 BACE1 (0.38)
SCHEMBL1450911 0.71 MEN1 (0.38)
SCHEMBL27773882 0.71 PLAU (0.41)
SCHEMBL208536 0.71 NR4A2 (0.38)
SCHEMBL208082 0.71 BACE1 (0.38)
SCHEMBL2358946 0.71 CYP1A2 (0.42)
SCHEMBL16289696 0.68 CYP1A1 (0.38) HDAC8CDC7CDK2CYP1A1CYP1B1
SCHEMBL1478481 0.67 CYP1A1 (0.54) HDAC8CDC7CDK2CYP1A1CYP1B1
SCHEMBL29870412 0.67 CYP1A1 (0.54) HDAC8CDC7CDK2CYP1A1CYP1B1

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
CN-101163700-A Triamine derivative DAIICHI SEIYAKU CO (JP) 2008-04-16 CN disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 HDAC8 1700/4885CDC7 3422/4885CDK2 707/4885

“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.