SCHEMBL29857782

SCHEMBL29857782

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)nc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.33
SOS1 Q07889 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
BACE1 P56817 3/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
PDPK1 O15530 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP30 Q70CQ3 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL2386488 0.84 SSTR4 (0.34) SSTR4BACE1PDPK1USP30
SCHEMBL19912660 0.83 PDPK1 (0.32) SSTR4PDPK1USP30
SCHEMBL20839302 0.82 PDPK1 (0.35) SSTR4SOS1PDPK1USP30
SCHEMBL26916745 0.82 JUN (0.32) JUNNFKB1NFKB2RELACACNA1G
SCHEMBL29726252 0.81 PDPK1 (0.34) SSTR4BACE1PDPK1USP30
SCHEMBL22958315 0.81 PDPK1 (0.34) SSTR4BACE1PDPK1USP30
SCHEMBL26662783 0.80 PDPK1 (0.33) SSTR4BACE1PDPK1USP30
SCHEMBL29512299 0.80 PDPK1 (0.33) SSTR4BACE1PDPK1USP30
SCHEMBL26917133 0.80 NPC1 (0.33) NFKB1
SCHEMBL6826893 0.80 CCR4 (0.38)

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-20240174683-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US disclosed
EP-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 EP disclosed
WO-2022167627-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-11 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-20240174683-A1 MAP4K1 INHIBITORS MAP3K4, MAP4K4, MAP4K1 SSTR4 3817/4885SOS1 2997/4885JUN 2595/4885

“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.