SCHEMBL25753975

SCHEMBL25753975

COC(=O)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.43
KDR P35968 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAP2K1 Q02750 1/20 0.43
AURKB Q96GD4 1/20 0.43
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
CTSB P07858 1/20 0.42
KCNA5 P22460 2/20 0.41
F7 P08709 4/20 0.39
F2 P00734 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL25624404 0.89 MEN1 (0.36) EGFRRAF1KDRMAP2K2MAP2K1
SCHEMBL29861162 0.89 CTSS (0.47) CTSSCTSKCTSBKCNA5MEN1
SCHEMBL21459378 0.89 CTSS (0.47) CTSSCTSKCTSBKCNA5MEN1
SCHEMBL27351850 0.89 CTSS (0.47) CTSSCTSKCTSBKCNA5MEN1
SCHEMBL21459379 0.89 CTSS (0.47) CTSSCTSKCTSBKCNA5MEN1
SCHEMBL25624830 0.88 GPR139 (0.42) CTSSCTSKPOLBKMT2AEPHX2
SCHEMBL24036832 0.87 WDR5 (0.44) CTSSCTSKMEN1KMT2AEPHX2
SCHEMBL24036746 0.87 GPR139 (0.39) CTSSCTSKEPHX2GPR139HDAC3
SCHEMBL24341735 0.87 MEN1 (0.48) EGFRRAF1KDRMAP2K2MAP2K1
SCHEMBL24340797 0.87 MEN1 (0.48) EGFRRAF1KDRMAP2K2MAP2K1

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 1 patent. 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

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 449/4885RAF1 367/4885KDR 1420/4885

“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.