SCHEMBL25587995

SCHEMBL25587995

CCC(C)Nc1ccc2ncncc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.60
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CYP3A4 P08684 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AR P10275 1/20 0.47
BRAF P15056 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
LATS1 O95835 5/20 0.38

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
SCHEMBL21646348 0.84 EGFR (0.68) EGFRSMN1; SMN2ARBRAFIRAK4
SCHEMBL24782968 0.78 EGFR (0.68) EGFRARBRAFIRAK4PIK3CD
SCHEMBL17198305 0.78 EGFR (0.63) EGFRARBRAFIRAK4PIK3CD
SCHEMBL4481815 0.76 EGFR (1.00) EGFRARBRAFPIK3CDPIK3CA
SCHEMBL2619213 0.75 EGFR (0.50) EGFRALDH1A1ALOX15HSD17B10AR
SCHEMBL16368637 0.75 EGFR (0.68) EGFRARBRAFIRAK4PIK3CD
SCHEMBL28041954 0.73 EGFR (0.69) EGFRARBRAFIRAK4PIK3CD
SCHEMBL24783500 0.73 EGFR (0.69) EGFRARBRAFPIK3CDPIK3CA
SCHEMBL27936888 0.72 AR (0.62) EGFRALDH1A1CYP3A4L3MBTL1AR
SCHEMBL23697846 0.72 EGFR (0.68) EGFRSMN1; SMN2TDP1L3MBTL1AR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 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-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM EGFR 3594/4885ALDH1A1 4673/4885TP53 4820/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM EGFR 3594/4885ALDH1A1 4673/4885TP53 4820/4885

“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.