SCHEMBL22699992

SCHEMBL22699992

C[C@@H](Nc1c(Nc2c[nH]c3ccccc23)c(=O)c1=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.43
STING1 Q86WV6 7/20 0.39
CFTR P13569 3/20 0.38
MAPK1 P28482 1/20 0.36
CHEK1 O14757 2/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
CHEK2 O96017 1/20 0.36
PIM1 P11309 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PRKX P51817 1/20 0.36
CSNK1G2 P78368 1/20 0.36
PRKCZ Q05513 1/20 0.36
ROCK1 Q13464 1/20 0.36
PKN2 Q16513 1/20 0.36
CDC42BPA Q5VT25 1/20 0.36
PLK3 Q9H4B4 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
SCHEMBL22699986 1.00 PLK1 (0.43) PLK1STING1CFTRMAPK1CHEK1
SCHEMBL22699991 1.00 PLK1 (0.43) PLK1STING1CFTRMAPK1CHEK1
SCHEMBL25120758 0.85 STING1 (0.43) PLK1STING1CFTRFFAR1GPR84
SCHEMBL22699966 0.82 CXCR1 (0.45) STING1CFTRCXCR1CXCR2CYP3A4
SCHEMBL22699964 0.82 CXCR1 (0.45) STING1CFTRCXCR1CXCR2CYP3A4
SCHEMBL22699963 0.82 CXCR1 (0.45) STING1CFTRCXCR1CXCR2CYP3A4
SCHEMBL25120874 0.81 STING1 (0.43) STING1CFTRFFAR1GPR84
SCHEMBL22700056 0.77 STING1 (0.41) STING1CFTRMAPK1
SCHEMBL22828422 0.77 STING1 (0.38) STING1CFTRMAPK1
SCHEMBL22828633 0.76 STING1 (0.60) STING1CFTR

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-2020236586-A1 N-HETARYL-SQUARAMIDE COMPOUNDS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-11-26 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 PLK1 280/4885STING1 1/4885CFTR 382/4885

“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.