SCHEMBL23873552

SCHEMBL23873552

OCC(CO)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(Cl)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.56
SRC P12931 10/20 0.56
LCK P06239 10/20 0.56
KDR P35968 10/20 0.56
EGFR P00533 5/20 0.52
ABL1 P00519 3/20 0.51
ABL2 P42684 3/20 0.51
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
RGS12 O14924 1/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
FYN P06241 1/20 0.43
LYN P07948 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL7005327 0.86 TEK (0.76) TEKSRCLCKKDREGFR
SCHEMBL23834473 0.85 TEK (0.48) TEKSRCLCKKDREGFR
SCHEMBL30143854 0.85 TEK (0.48) TEKSRCLCKKDREGFR
SCHEMBL7009432 0.81 SRC (0.55) TEKSRCLCKKDREGFR
SCHEMBL2074534 0.77 TEK (0.64) TEKSRCLCKKDREGFR
SCHEMBL2075050 0.72 KDR (0.56) TEKSRCLCKKDREGFR
SCHEMBL7005359 0.72 TEK (1.00) TEKSRCLCKKDREGFR
SCHEMBL29552512 0.72 TEK (1.00) TEKSRCLCKKDREGFR
SCHEMBL16752372 0.71 LCK (0.59) TEKSRCLCKKDREGFR
SCHEMBL2074978 0.70 KDR (0.53) TEKSRCLCKKDRLMNA

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-20210299128-A1 COMPOUNDS FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA RIKEN (JP) 2021-09-30 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-20210299128-A1 COMPOUNDS FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA MCL1, FLT3, ABL1 TEK 622/4885SRC 95/4885LCK 188/4885

“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.