SCHEMBL22803261

SCHEMBL22803261

CC(C)(C)n1cc(NC(=O)Nc2ccc3cc[nH]c3c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
PYGL P06737 1/20 0.47
ESR1 P03372 5/20 0.46
IDH1 O75874 1/20 0.46
RPS6KA3 P51812 3/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
RPS6KA2 Q15349 1/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
KDM1A O60341 1/20 0.43
NOTUM Q6P988 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL22803824 0.91 EPHX1 (0.51) MAOAIDH1RAF1BRAFEPHX1
SCHEMBL22803592 0.85 MAOA (0.51) MAOAPYGLESR1IDH1HDAC1
SCHEMBL22803724 0.79 ESR1 (0.63) MAOAPYGLESR1IDH1HDAC1
SCHEMBL31668714 0.78 ESR1 (0.61) MAOAPYGLESR1IDH1HDAC1
SCHEMBL22803735 0.77 EPHX1 (0.54) MAOANOTUMEPHX1
SCHEMBL27371222 0.76 ESR1 (0.59) MAOAPYGLESR1IDH1HDAC1
SCHEMBL25120831 0.74 ESR1 (0.58) MAOAPYGLESR1IDH1HDAC1
SCHEMBL1012954 0.74 RAF1 (0.53) RAF1BRAFKDM1A
SCHEMBL31668678 0.74 ESR1 (0.57) MAOAPYGLESR1IDH1HDAC1
SCHEMBL30052295 0.74 MAOA (0.61) MAOAPYGLESR1IDH1HDAC1

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 MAOA 4309/4885PYGL 1235/4885ESR1 3661/4885

“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.