SCHEMBL27128583

SCHEMBL27128583

CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Br)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.51
JAK3 P52333 1/20 0.51
MAP4K4 O95819 2/20 0.48
F10 P00742 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
AURKA O14965 3/20 0.44
PDPK1 O15530 3/20 0.44
AURKB Q96GD4 3/20 0.44
CTSK P43235 2/20 0.44
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
KDM4D Q6B0I6 1/20 0.43
PDE10A Q9Y233 1/20 0.43
DRD2 P14416 2/20 0.43
SUV39H2 Q9H5I1 1/20 0.43
RET P07949 1/20 0.42

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
SCHEMBL30781309 0.94 PIM1 (0.49) BTKJAK3CTSKPIM1PIM3
SCHEMBL30781462 0.94 PIM1 (0.49) BTKJAK3CTSKPIM1PIM3
SCHEMBL4436879 0.88 MAP4K4 (0.52) BTKJAK3MAP4K4F10CA1
SCHEMBL4436306 0.84 MAPK1 (0.55) BTKJAK3MAP4K4F10
SCHEMBL27142997 0.83 CNR1 (0.48) BTKCNR1CNR2
SCHEMBL27142998 0.83 CNR1 (0.48) BTKCNR1CNR2
SCHEMBL22581681 0.82 BTK (0.56) BTKJAK3MAP4K4F10CA1
SCHEMBL31262640 0.81 BTK (0.53) BTKJAK3MAP4K4F10CA1
SCHEMBL31262670 0.81 BTK (0.53) BTKJAK3MAP4K4F10CA1
SCHEMBL28605703 0.80 SYK (0.51) BTKJAK3MAP4K4F10CA1

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-20240150362-A1 Substituted Pyrrolotriazines MOLECURE S.A. (PL) 2024-05-09 US disclosed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 WO disclosed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 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-20240150362-A1 Substituted Pyrrolotriazines USP7, UBA7, USP5 BTK 3016/4885JAK3 699/4885MAP4K4 2308/4885

“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.