SCHEMBL22320494

SCHEMBL22320494

Cc1cc(OCc2ccccc2)cc(C)c1-c1c(Br)sc2ncnc(Cl)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.37
FFAR1 O14842 1/20 0.36
MAOB P27338 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NR2F2 P24468 1/20 0.36
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35
DYRK3 O43781 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
FES P07332 1/20 0.35
CSF1R P07333 1/20 0.35
LYN P07948 1/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
FLT1 P17948 1/20 0.35
AXL P30530 1/20 0.35

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
SCHEMBL22320697 0.79 NOTUM (0.38) MEN1KMT2APLK4AURKADYRK3
SCHEMBL14965012 0.73 SMN1; SMN2 (0.42) MEN1KMT2APLK4AURKADYRK3
SCHEMBL3629799 0.68 MAOB (0.56) MRGPRX4FFAR1MAOBMEN1KMT2A
SCHEMBL20972647 0.67 MAPT (0.35) MEN1KMT2ALIMK1NOTUML3MBTL1
SCHEMBL20742471 0.67 MAPT (0.40) MEN1KMT2AAURKAKDRLIMK1
SCHEMBL15287235 0.67 MAOB (0.54) MRGPRX4FFAR1MAOBMEN1KMT2A
SCHEMBL20972715 0.66 NOTUM (0.38) MEN1KMT2APLK4AURKADYRK3
SCHEMBL28652239 0.66 PDGFRB (0.50) MRGPRX4MAOBMCL1BAK1
SCHEMBL19783373 0.65 CYP3A4 (0.47) MAOBMEN1KMT2AL3MBTL1CYP3A4
SCHEMBL10903897 0.65 L3MBTL1 (0.55) MRGPRX4MAOBMEN1KMT2APKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 MRGPRX4 814/4885FFAR1 3710/4885MAOB 2229/4885

“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.