SCHEMBL22246740

SCHEMBL22246740

O=C(Cc1ccc(C(F)(F)F)cc1)Nc1c[nH]c2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.47
NLRP3 Q96P20 1/20 0.46
MAPK8 P45983 2/20 0.44
MAPK10 P53779 1/20 0.44
STING1 Q86WV6 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
RIOK2 Q9BVS4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CSNK1D P48730 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL23195070 0.82 PLAAT3 (0.47) STING1KMT2AMEN1
SCHEMBL30925606 0.81 STING1 (0.67) STING1EGLN1KMT2AMEN1
SCHEMBL22050631 0.81 STING1 (0.67) STING1EGLN1KMT2AMEN1
SCHEMBL22049634 0.78 STING1 (0.42) STING1EGLN1MMP2
SCHEMBL2110907 0.77 EGLN1 (0.60) P2RX7NLRP3MAPK8MAPK10EGLN1
SCHEMBL22049870 0.76 P2RY1 (0.49) MAPK8MAPK10STING1
SCHEMBL23194480 0.76 TRPV1 (0.47) STING1MMP2
SCHEMBL22049615 0.76 RAB9A (0.55) STING1KMT2AMEN1MMP2
SCHEMBL23194540 0.76 MAPT (0.42) STING1EGLN1ALDH1A1KMT2AMEN1
SCHEMBL23194522 0.75 TRPV1 (0.48) STING1

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-2020150417-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-07-23 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 P2RX7 89/4885NLRP3 193/4885MAPK8 2499/4885

“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.