SCHEMBL21648655

SCHEMBL21648655

CSC(C)c1ccc2ncncc2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.49
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
FGFR4 P22455 1/20 0.40
TDO2 P48775 1/20 0.36
AR P10275 1/20 0.36
PDPK1 O15530 1/20 0.31
BRAF P15056 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL2611054 0.83 EGFR (0.55) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL23335615 0.80 EGFR (0.51) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL27666530 0.80 EGFR (0.51) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL30804805 0.80 EGFR (0.55) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL2619213 0.79 EGFR (0.50) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL20032418 0.75 EGFR (0.50) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL20666511 0.74 EGFR (0.56) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL28236647 0.74 EGFR (0.45) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL28236646 0.74 EGFR (0.45) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL21646348 0.72 EGFR (0.68) EGFRPIK3CDPIK3CAFGFR4TDO2

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-11352360-B2 TGF-beta inhibitors Rigel Pharmaceuticals, hic. (US) 2022-06-07 US disclosed
US-20200031832-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2020-01-30 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-11352360-B2 TGF-beta inhibitors TGFBR1, TGFBR2, TGFB1 EGFR 294/4885PIK3CD 3202/4885PIK3CA 2831/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 EGFR 294/4885PIK3CD 3202/4885PIK3CA 2831/4885

“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.