SCHEMBL16023409

SCHEMBL16023409

NCCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 20/20 0.88
SIRT1 Q96EB6 20/20 0.88
SIRT3 Q9NTG7 20/20 0.88
CYP2C9 P11712 1/20 0.70

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
Trifluoroacetic Acid SCHEMBL17389390 0.94 SIRT2 (0.78) SIRT2SIRT1SIRT3CYP2C9
SCHEMBL16011506 0.93 SIRT2 (1.00) SIRT2SIRT1SIRT3CYP2C9
Hydrochloric Acid SCHEMBL17389379 0.92 SIRT2 (0.98) SIRT2SIRT1SIRT3CYP2C9
SCHEMBL17400947 0.90 SIRT2 (0.72) SIRT2SIRT1SIRT3CYP2C9
SCHEMBL16023422 0.89 SIRT2 (0.83) SIRT2SIRT1SIRT3CYP2C9
SCHEMBL16011520 0.89 SIRT2 (0.83) SIRT2SIRT1SIRT3CYP2C9
Hydrochloric Acid SCHEMBL17389383 0.88 SIRT2 (0.81) SIRT2SIRT1SIRT3CYP2C9
Trifluoroacetic Acid SCHEMBL16014052 0.88 SIRT2 (0.88) SIRT2SIRT1SIRT3CYP2C9
SCHEMBL17389387 0.87 SIRT2 (0.82) SIRT2SIRT1SIRT3CYP2C9
SCHEMBL16023507 0.86 SIRT2 (0.79) SIRT2SIRT1SIRT3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 US disclosed
US-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 US disclosed
WO-2014138562-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-09-12 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-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS SIRT2, SIRT1, SIRT6 SIRT2 1/4885SIRT1 2/4885SIRT3 4/4885

“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.