SCHEMBL21648685

SCHEMBL21648685

CC(O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3c2)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.65
NAMPT P43490 3/20 0.41
KDM5B Q9UGL1 1/20 0.41
MAPK14 Q16539 11/20 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
SCHEMBL18042060 0.83 TGFBR1 (0.92) TGFBR1NAMPTMAPK14
SCHEMBL18041603 0.79 TGFBR1 (0.59) TGFBR1NAMPTKDM5BMAPK14
SCHEMBL18041474 0.77 TGFBR1 (0.56) TGFBR1NAMPTKDM5BMAPK14
SCHEMBL68360 0.74 MAPK13 (0.67) TGFBR1MAPK14
SCHEMBL19806550 0.73 TGFBR1 (0.51) TGFBR1NAMPTKDM5B
SCHEMBL18042075 0.72 TGFBR1 (0.71) TGFBR1NAMPTMAPK14
SCHEMBL27399209 0.72 TGFBR1 (0.60) TGFBR1NAMPTMAPK14
SCHEMBL1830448 0.70 DYRK1A (0.71) TGFBR1
SCHEMBL21401310 0.70 TGFBR1 (0.53) TGFBR1
SCHEMBL19806386 0.70 TGFBR1 (0.50) TGFBR1NAMPTKDM5B

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 TGFBR1 1/4885NAMPT 756/4885KDM5B 1367/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885NAMPT 756/4885KDM5B 1367/4885

“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.