SCHEMBL22320697

SCHEMBL22320697

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.38
KDR P35968 4/20 0.34
FGFR1 P11362 2/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
DYRK3 O43781 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
FES P07332 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34
SRC P12931 1/20 0.34
FLT1 P17948 1/20 0.34
AXL P30530 1/20 0.34
FLT4 P35916 1/20 0.34
FLT3 P36888 1/20 0.34
MATK P42679 1/20 0.34
FRK P42685 1/20 0.34

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
SCHEMBL20972715 0.81 NOTUM (0.38) NOTUMKDRFGFR1PLK4AURKA
SCHEMBL22320494 0.79 MRGPRX4 (0.37) NOTUMKDRFGFR1PLK4AURKA
SCHEMBL438064 0.77 NOTUM (0.49) NOTUMLIMK1LMNAMAPTSMN1; SMN2
SCHEMBL22320501 0.76 SMN1; SMN2 (0.44) KDRLIMK1MKNK2LMNAMAPT
SCHEMBL20972647 0.73 MAPT (0.35) NOTUMLIMK1LMNAMAPTSMN1; SMN2
SCHEMBL14965012 0.71 SMN1; SMN2 (0.42) KDRFGFR1PLK4AURKADYRK3
SCHEMBL10325524 0.71 NOTUM (0.49) NOTUMKDRLIMK1LMNAMAPT
SCHEMBL20972575 0.69 NOTUM (0.31) NOTUM
SCHEMBL20742471 0.68 MAPT (0.40) KDRAURKALIMK1LMNAMAPT
SCHEMBL16815479 0.67 SMN1; SMN2 (0.41) NOTUMKDRPLK4AURKADYRK3

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 NOTUM 4547/4885KDR 2141/4885FGFR1 2520/4885

“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.