SCHEMBL25752574

SCHEMBL25752574

Cc1ccncc1/C=C\I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
CYP1A2 P05177 4/20 0.35
CYP2D6 P10635 4/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
HIF1A Q16665 1/20 0.35
RAB9A P51151 1/20 0.35
PADI4 Q9UM07 1/20 0.34
CYP2A6 P11509 4/20 0.33
CYP2E1 P05181 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C8 P10632 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2B6 P20813 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP11B1 P15538 1/20 0.33

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
SCHEMBL25752586 0.83 SIRT3 (0.37) SIRT3TDP1CYP1A2CYP2D6TP53
SCHEMBL14822558 0.81 SIRT3 (0.38) SIRT3TDP1AURKAKDRCYP1A2
SCHEMBL18710900 0.79 SIRT3 (0.41) SIRT3TDP1AURKAKDRCYP1A2
SCHEMBL9000364 0.79 AURKA (0.39) SIRT3TDP1AURKAKDRCYP1A2
SCHEMBL21042180 0.79 AURKA (0.34) SIRT3TDP1AURKAKDRCYP1A2
SCHEMBL23580414 0.76 SIRT3 (0.39) SIRT3TDP1AURKAKDRCYP1A2
SCHEMBL24492942 0.76 SIRT3 (0.39) SIRT3TDP1AURKAKDRCYP1A2
SCHEMBL23580413 0.76 SIRT3 (0.39) SIRT3TDP1AURKAKDRCYP1A2
SCHEMBL14272250 0.76 AURKA (0.38) SIRT3TDP1AURKAKDRCYP1A2
SCHEMBL31336834 0.76 SIRT3 (0.39) SIRT3TDP1AURKAKDRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230197361-A1 CONDUCTIVE TWO-DIMENSIONAL (2D) COVALENT ORGANIC FRAMEWORKS (COFS) AND METHOD OF MAKING AN ELECTRODE MATERIAL UNIV KING ABDULLAH SCI & TECH (SA) 2023-06-22 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-20230197361-A1 CONDUCTIVE TWO-DIMENSIONAL (2D) COVALENT ORGANIC FRAMEWORKS (COFS) AND METHOD OF MAKING AN ELECTRODE MATERIAL TET3, TET1, ALKBH2 SIRT3 940/4885TDP1 2631/4885AURKA 316/4885

“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.