SCHEMBL29375626

SCHEMBL29375626

Cc1cc2nc3c(=O)n(CC(=O)O)c(=O)nc-3n(C)c2cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 5/20 0.51
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIA1 P42261 1/20 0.43
▸ GRIA2 P42262 1/20 0.43
▸ GRIA3 P42263 1/20 0.43
▸ GRIA4 P48058 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL14176774 1.00 GSR (0.51) GSRKDM4EALDH1A1GLAHPGD
SCHEMBL5129093 0.82 GSR (0.42) GSRKDM4EALDH1A1GLAHPGD
SCHEMBL14212581 0.81 KDM4E (0.48) GSRKDM4EALDH1A1GLAHPGD
SCHEMBL14399199 0.80 SMN1; SMN2 (0.58) GSRKDM4EALDH1A1GLAHPGD
SCHEMBL27460346 0.78 MEN1 (0.63) GSRKDM4EALDH1A1HPGDGRIN2D
SCHEMBL21743935 0.78 MEN1 (0.63) GSRKDM4EALDH1A1HPGDGRIN2D
SCHEMBL20155596 0.78 KDM4E (0.46) GSRKDM4EALDH1A1HPGDMEN1
SCHEMBL14369939 0.74 KDM4E (0.51) GSRKDM4EALDH1A1GLAHPGD
SCHEMBL864708 0.73 KDM4E (0.43) GSRKDM4EALDH1A1GLAHPGD
SCHEMBL14335594 0.73 CYP1A2 (0.48) GSRKDM4EALDH1A1GLAHPGD

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-20220033405-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING PLK1 INHIBITOR AS ACTIVE INGREDIENT NATIONAL CANCER CENTER (KR) 2022-02-03 — — US claimed
CN-113164483-B Pharmaceutical composition for preventing or treating cancer containing PLK1 inhibitor as active ingredient 国立癌症中心 2024-09-24 — — CN disclosed
US-20220033405-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING PLK1 INHIBITOR AS ACTIVE INGREDIENT NATIONAL CANCER CENTER (KR) 2022-02-03 — — 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-20220033405-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING PLK1 INHIBITOR AS ACTIVE INGREDIENT PLK1, PLK2, PLK4 GSR 4488/4885KDM4E 2129/4885ALDH1A1 3457/4885

“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.

Send feedback