SCHEMBL21646019

SCHEMBL21646019

O=C(O)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=O)O)cc3)nc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.78
RAB9A P51151 2/20 0.78
KDM4E B2RXH2 1/20 0.78
NPC1 O15118 1/20 0.78
P4HTM Q9NXG6 14/20 0.72
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
KMT2A Q03164 1/20 0.61
POLB P06746 1/20 0.57

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
SCHEMBL13210581 0.88 ALDH1A1 (1.00) ALDH1A1RAB9AKDM4ENPC1P4HTM
SCHEMBL30834320 0.88 ALDH1A1 (1.00) ALDH1A1RAB9AKDM4ENPC1P4HTM
SCHEMBL21662065 0.85 ALDH1A1 (0.71) ALDH1A1RAB9AKDM4ENPC1P4HTM
SCHEMBL30182474 0.85 RAB9A (0.71) ALDH1A1RAB9AKDM4ENPC1P4HTM
SCHEMBL13210529 0.85 RAB9A (0.71) ALDH1A1RAB9AKDM4ENPC1P4HTM
SCHEMBL24892187 0.85 RAB9A (0.71) ALDH1A1RAB9AKDM4ENPC1P4HTM
SCHEMBL21646078 0.84 ALDH1A1 (0.64) ALDH1A1RAB9AKDM4ENPC1P4HTM
SCHEMBL13210719 0.83 ALDH1A1 (0.68) ALDH1A1RAB9AKDM4ENPC1P4HTM
SCHEMBL13210531 0.82 RAB9A (0.67) ALDH1A1RAB9AKDM4ENPC1P4HTM
SCHEMBL9895324 0.81 P4HTM (1.00) ALDH1A1RAB9AKDM4ENPC1P4HTM

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-11987568-B2 Allosteric inhibitor of WEE1 kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-05-21 US disclosed
US-20210309630-A1 ALLOSTERIC INHIBITOR OF WEE1 KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-10-07 US disclosed
WO-2020028814-A1 ALLOSTERIC INHIBITOR OF WEE1 KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-02-06 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 (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-20210309630-A1 ALLOSTERIC INHIBITOR OF WEE1 KINASE WEE1, WEE2, PAXBP1 ALDH1A1 4555/4885RAB9A 2015/4885KDM4E 206/4885
US-11987568-B2 Allosteric inhibitor of WEE1 kinase WEE1, WEE2, PAXBP1 ALDH1A1 4555/4885RAB9A 2015/4885KDM4E 206/4885

“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.