SCHEMBL22049484

SCHEMBL22049484

O=C(Nc1cc(F)cc(F)c1)Nc1c[nH]c2ncc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.46
DYRK1A Q13627 2/20 0.46
STING1 Q86WV6 3/20 0.44
AAK1 Q2M2I8 3/20 0.42
BRAF P15056 1/20 0.41
IGF1R P08069 5/20 0.40
RIPK1 Q13546 2/20 0.39
KDR P35968 2/20 0.38
PDGFRA P16234 1/20 0.38
CDK8 P49336 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK9 P50750 1/20 0.37
CDK5 Q00535 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
POLB P06746 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
SCHEMBL22050814 0.90 CLK1 (0.52) CLK1DYRK1ASTING1AAK1BRAF
SCHEMBL22050239 0.87 STING1 (0.54) STING1AAK1IGF1RRIPK1
SCHEMBL30021859 0.83 TAAR1 (0.56) CLK1DYRK1AAAK1RIPK1
SCHEMBL21988041 0.83 STING1 (0.59) CLK1DYRK1ASTING1AAK1BRAF
SCHEMBL22049591 0.82 STING1 (0.46) CLK1DYRK1ASTING1AAK1BRAF
SCHEMBL22049571 0.82 STING1 (0.58) CLK1DYRK1ASTING1AAK1BRAF
SCHEMBL22049477 0.82 AAK1 (0.46) CLK1DYRK1ASTING1AAK1CDK8
SCHEMBL22049594 0.82 STING1 (0.51) CLK1DYRK1ASTING1AAK1BRAF
SCHEMBL21988107 0.81 AAK1 (0.46) CLK1DYRK1AAAK1KDRGSK3A
SCHEMBL22049735 0.81 DYRK1A (0.49) CLK1DYRK1ASTING1AAK1BRAF

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
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2020-06-04 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 (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-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CLK1 1338/4885DYRK1A 4056/4885STING1 1/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 CLK1 615/4885DYRK1A 2647/4885STING1 1/4885

“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.