SCHEMBL29623343

SCHEMBL29623343

NC(=O)C1=Cc2cnccc2NC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
SARM1 Q6SZW1 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
SIRT4 Q9Y6E7 1/20 0.36
CDK8 P49336 10/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
RET P07949 1/20 0.33
PIM1 P11309 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
SCHEMBL3655338 1.00 SIRT3 (0.38) SIRT3TDP1F7F3SARM1
SCHEMBL30539758 0.87 SIRT3 (0.38) SIRT3TDP1F7F3SARM1
SCHEMBL8366169 0.85 KDM4C (0.36) TDP1TSHRKDM4EMKNK1MKNK2
SCHEMBL30440354 0.85 KDM4C (0.36) TDP1TSHRKDM4EMKNK1MKNK2
SCHEMBL35211554 0.80
SCHEMBL715561 0.78 HSD17B10 (0.33) TDP1AURKATSHRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6204990 0.77 HSD17B3 (0.33) TDP1AURKATSHRMAPTL3MBTL1
SCHEMBL2877013 0.74 PRKCI (0.40) CDK8CHEK1DAPK3PRKD3MAP4K4
SCHEMBL30818429 0.73 SIRT3 (0.40) SIRT3TDP1F7F3SARM1
SCHEMBL27791683 0.72 KDM4C (0.37) TDP1KDM4EMEN1KDM6BKDM4A

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-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS GILEAD SCIENCES INC (US) 2026-05-07 US claimed
US-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS GILEAD SCIENCES INC (US) 2026-05-07 US disclosed
CN-114555598-A Photochemical process for the preparation of (4R,4S) -4- (4-cyano-2-methoxyphenyl) -5-ethoxy-2, 8-dimethyl-1, 4-dihydro-1, 6-naphthyridine-3-carboxamide 拜耳公司 2022-05-27 CN 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-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS ZC3HAV1, CCR1, CCR6 SIRT3 3204/4885TDP1 452/4885F7 432/4885

“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.