SCHEMBL22778100

SCHEMBL22778100

FC(F)(F)c1ccc2c(Cl)cc(Nc3ccc4cc[nH]c4c3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.49
C1R P00736 2/20 0.43
KIF11 P52732 2/20 0.43
HSD17B10 Q99714 1/20 0.40
CSNK2A1 P68400 1/20 0.40
EPHX2 P34913 1/20 0.39
EGFR P00533 1/20 0.39
TRPA1 O75762 3/20 0.39
SYK P43405 1/20 0.39
RET P07949 1/20 0.38
FADS1 O60427 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNQ1 P51787 1/20 0.36
SCN5A Q14524 1/20 0.36
IDH1 O75874 1/20 0.36

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
SCHEMBL29714372 1.00 ESR1 (0.49) ESR1C1RKIF11HSD17B10CSNK2A1
SCHEMBL22803616 0.91 ESR1 (0.44) ESR1C1RKIF11HSD17B10CSNK2A1
SCHEMBL22803841 0.84 ABL1 (0.45) ESR1CSNK2A1EGFRTRPA1SYK
SCHEMBL30302514 0.84 ABL1 (0.45) ESR1CSNK2A1EGFRTRPA1SYK
SCHEMBL22803779 0.83 ESR1 (0.52) ESR1KIF11EPHX2EGFRSYK
SCHEMBL30302519 0.81 APP (0.45) ESR1CSNK2A1EGFRSYKRET
SCHEMBL22803638 0.81 APP (0.45) ESR1CSNK2A1EGFRSYKRET
SCHEMBL22803604 0.81 ESR1 (0.45) ESR1KIF11CSNK2A1EPHX2EGFR
SCHEMBL22803626 0.80 ESR1 (0.51) ESR1KIF11EPHX2EGFRSYK
SCHEMBL22803639 0.80 MEN1 (0.50) ESR1CSNK2A1EGFRSYKRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 US disclosed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 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 (2 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-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ESR1 1070/4885C1R 4823/4885KIF11 4149/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 ESR1 3661/4885C1R 4586/4885KIF11 3312/4885

“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.