SCHEMBL22803602

SCHEMBL22803602

FC(F)(F)c1ccc2ncc(Nc3ccc4cc[nH]c4c3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.48
SYK P43405 1/20 0.46
DHFR P00374 1/20 0.45
APP P05067 1/20 0.44
EGFR P00533 1/20 0.43
CDK1 P06493 2/20 0.41
MET P08581 2/20 0.40
KIF11 P52732 3/20 0.39
RET P07949 1/20 0.39
RHOA P61586 1/20 0.39
ULK1 O75385 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
IDH1 O75874 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37

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
SCHEMBL22803779 0.85 ESR1 (0.52) ESR1SYKAPPEGFRCDK1
SCHEMBL22803626 0.84 ESR1 (0.51) ESR1SYKAPPEGFRCDK1
SCHEMBL22803854 0.83 ESR1 (0.50) ESR1SYKAPPEGFRCDK1
SCHEMBL31663339 0.81 MET (0.53) ESR1EGFRMETKIF11ABL1
SCHEMBL30302529 0.80 SYK (0.58) ESR1SYKEGFRCDK1ULK1
SCHEMBL22803846 0.80 SYK (0.58) ESR1SYKEGFRCDK1ULK1
SCHEMBL22778100 0.80 ESR1 (0.49) ESR1SYKEGFRKIF11RET
SCHEMBL29714372 0.80 ESR1 (0.49) ESR1SYKEGFRKIF11RET
SCHEMBL22803804 0.79 ESR1 (0.54) ESR1SYKAPPEGFRKIF11
SCHEMBL13675612 0.77 ESR1 (0.51) ESR1SYKKIF11TRPV1ABL1

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 1069/4885DHFR 4490/4885

“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.