SCHEMBL721917

SCHEMBL721917

NC(=O)c1cnc2cnccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.55
SIRT3 Q9NTG7 2/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
SARM1 Q6SZW1 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
SIRT4 Q9Y6E7 1/20 0.46
PSMD14 O00487 1/20 0.45
STAMBP O95630 1/20 0.45
COPS5 Q92905 1/20 0.45
LRRK2 Q5S007 2/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45

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
SCHEMBL5314248 0.86 HPGDS (0.51) HPGDSSIRT3F7F3SARM1
Isoquinoline SCHEMBL28230213 0.85 MGAM (0.56) HPGDSSIRT3F7F3SARM1
SCHEMBL3788261 0.84 MGAM (0.64) HPGDSPSMD14LRRK2MGAMKDM4E
SCHEMBL4900459 0.82 HPGDS (0.55) HPGDSLRRK2MGAMKDM4ESMN1; SMN2
SCHEMBL28946126 0.79 ALOX15 (0.54) HPGDSPSMD14KDM4EHTTALDH1A1
SCHEMBL29362497 0.79 MGAM (0.71) HPGDSPSMD14STAMBPCOPS5MAP4K4
SCHEMBL23372 0.79 MGAM (0.71) HPGDSPSMD14STAMBPCOPS5MAP4K4
SCHEMBL35212113 0.77 HPGDS (0.44) HPGDSLRRK2MAP4K4DYRK1AMGAM
Hydrochloric Acid SCHEMBL5311903 0.77 MGAM (0.69) HPGDSPSMD14STAMBPCOPS5MAP4K4
Hydrochloric Acid SCHEMBL28841803 0.77 MGAM (0.69) HPGDSPSMD14STAMBPCOPS5MAP4K4

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 5 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
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 EP disclosed
CN-107151240-A Polysubstituted carbostyril compound of one class and its production and use 中国科学院上海药物研究所 2017-09-12 CN disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 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 (2 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 HPGDS 3568/4885SIRT3 3204/4885F7 432/4885
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HPGDS 528/4885SIRT3 108/4885F7 2094/4885

“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.