SCHEMBL22803604

SCHEMBL22803604

Fc1cc(C(F)(F)F)cc2nc(Nc3ccc4cc[nH]c4c3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.45
SYK P43405 1/20 0.45
APP P05067 2/20 0.41
EGFR P00533 1/20 0.40
KIF11 P52732 2/20 0.38
CSNK2A1 P68400 1/20 0.38
RET P07949 1/20 0.38
EPHX2 P34913 1/20 0.38
TRPA1 O75762 1/20 0.37
MET P08581 2/20 0.36
AHR P35869 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
IDH1 O75874 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
SCHEMBL22803616 0.88 ESR1 (0.44) ESR1SYKAPPEGFRKIF11
SCHEMBL22803779 0.84 ESR1 (0.52) ESR1SYKAPPEGFRKIF11
SCHEMBL22803606 0.82 SYK (0.45) ESR1SYKAPPEGFRCSNK2A1
SCHEMBL22803617 0.82 SYK (0.42) ESR1SYKAPPEGFRKIF11
SCHEMBL22803626 0.81 ESR1 (0.51) ESR1SYKAPPEGFRKIF11
SCHEMBL29714372 0.81 ESR1 (0.49) ESR1SYKEGFRKIF11CSNK2A1
SCHEMBL22778100 0.81 ESR1 (0.49) ESR1SYKEGFRKIF11CSNK2A1
SCHEMBL22803804 0.80 ESR1 (0.54) ESR1SYKAPPEGFRKIF11
SCHEMBL22803620 0.80 APP (0.41) ESR1SYKAPPEGFRCSNK2A1
SCHEMBL22803609 0.79 SYK (0.46) ESR1SYKAPPEGFRRET

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-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 US 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

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-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 ESR1 3661/4885SYK 1069/4885APP 3042/4885

“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.