SCHEMBL24036716

SCHEMBL24036716

COC(=O)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)c1cc(OC(F)F)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
AURKB Q96GD4 1/20 0.35
PTPRB P23467 1/20 0.34
EPHX2 P34913 2/20 0.34
KDM4E B2RXH2 2/20 0.34
APLNR P35414 1/20 0.33
ATM Q13315 1/20 0.32
PDK2 Q15119 1/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
HIF1A Q16665 1/20 0.32
SLC6A9 P48067 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
POLB P06746 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL24036717 0.91 KCNQ3 (0.39) EGFRAURKBPTPRBPDK2SMN1; SMN2
SCHEMBL24036812 0.87 EGFR (0.40) EGFRAURKBPTPRBKDM4EGAA
SCHEMBL24036815 0.86 AAK1 (0.42) EGFRAURKBPTPRBKDM4EGAA
SCHEMBL24036705 0.86 PKM (0.38) PTPRBEPHX2APLNRATMSLC6A9
SCHEMBL25624299 0.85 CTSA (0.39) EGFRAURKBPTPRBMAPTSLC6A9
SCHEMBL24036744 0.84 ITGB3 (0.40) PTPRBEPHX2KDM4EAPLNRHDAC3
SCHEMBL24036713 0.84 APLNR (0.36) EGFRAURKBPTPRBEPHX2KDM4E
SCHEMBL24036718 0.83 EGFR (0.35) EGFRAURKBPTPRBEPHX2KDM4E
SCHEMBL25624528 0.82 EPAS1 (0.35) EGFRAURKBPTPRBKDM4EAPLNR
SCHEMBL25625468 0.81 LMNA (0.37) EPHX2KDM4EHPGDPOLBSMN1; SMN2

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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
WO-2023085396-A1 PHARMACEUTICAL COMPOSITION FOR PROVIDING TREATMENT FOR OR PREVENTING ALPORT SYNDROME UBE株式会社 2023-05-19 WO disclosed
WO-2021230325-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE 宇部興産株式会社 2021-11-18 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 EGFR 449/4885AURKB 2072/4885PTPRB 3627/4885

“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.