SCHEMBL21995532

SCHEMBL21995532

Cc1cccc(OCCn2c3nc(=O)[nH]c(=O)c-3nc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GSR P00390 2/20 0.46
▸ CYP2C9 P11712 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43

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
SCHEMBL29375977 1.00 MAPT (0.47) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL12287057 0.83 MAPT (0.53) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL18784640 0.80 GSR (0.50) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL24238131 0.76 MEN1 (0.55) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL29375611 0.76 MEN1 (0.55) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL12287705 0.76 KMT2A (0.69) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL12287149 0.71 MEN1 (0.53) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL14667981 0.70 MEN1 (0.45) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL31615079 0.70 HAT1 (0.69) MAPTMEN1KMT2AKDM4EUSP2
SCHEMBL12958670 0.70 MEN1 (0.52) MAPTMEN1KMT2AKDM4EUSP2

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-20220033405-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING PLK1 INHIBITOR AS ACTIVE INGREDIENT NATIONAL CANCER CENTER (KR) 2022-02-03 — — US claimed
WO-2020111325-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING ACTIVATION INHIBITOR OF PLK1 AS ACTIVE INGREDIENT 국립암센터 2020-06-04 — — WO claimed
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
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
WO-2020111325-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING ACTIVATION INHIBITOR OF PLK1 AS ACTIVE INGREDIENT 국립암센터 2020-06-04 — — 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-20220033405-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING PLK1 INHIBITOR AS ACTIVE INGREDIENT PLK1, PLK2, PLK4 MAPT 919/4885MEN1 2253/4885KMT2A 1439/4885

“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.

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