SCHEMBL18042003

SCHEMBL18042003

CC(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3c2)n1CC(F)F

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.69
NAMPT P43490 2/20 0.45
TGFBR2 P37173 1/20 0.45
MAPK14 Q16539 4/20 0.45
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 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
SCHEMBL18042045 0.82 TGFBR1 (1.00) TGFBR1TGFBR2CSNK1DCSNK1E
SCHEMBL18041672 0.80 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18041953 0.79 TGFBR1 (1.00) TGFBR1
SCHEMBL18041932 0.75 TGFBR1 (0.55) TGFBR1MAPK14CSNK1DMAPK13MAPK12
SCHEMBL18042060 0.74 TGFBR1 (0.92) TGFBR1NAMPTMAPK14CSNK1DCSNK1E
SCHEMBL18042071 0.72 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18041974 0.68 TGFBR1 (0.48) TGFBR1MAPK14CSNK1DCSNK1E
SCHEMBL27399209 0.68 TGFBR1 (0.60) TGFBR1NAMPTMAPK14
SCHEMBL21648685 0.66 TGFBR1 (0.65) TGFBR1NAMPTMAPK14
SCHEMBL1830448 0.66 DYRK1A (0.71) TGFBR1

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 16 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-11352360-B2 TGF-beta inhibitors Rigel Pharmaceuticals, hic. (US) 2022-06-07 US disclosed
CN-107406412-B TGF-beta inhibitors 里格尔药品股份有限公司 2021-07-16 CN disclosed
US-20200031832-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2020-01-30 US disclosed
US-20200031832-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2020-01-30 US disclosed
US-10287295-B2 TGF-β inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-05-14 US disclosed
US-10287295-B2 TGF-β inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-05-14 US disclosed
US-20180127426-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-05-10 US disclosed
US-20180127426-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-05-10 US disclosed
US-20180127426-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-05-10 US disclosed
US-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-20160257690-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2016-09-08 US disclosed
US-20160257690-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2016-09-08 US disclosed
US-20160257690-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2016-09-08 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 (5 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 756/4885TGFBR2 2/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885NAMPT 756/4885TGFBR2 2/4885
US-20180127426-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885NAMPT 756/4885TGFBR2 2/4885
US-10287295-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885NAMPT 643/4885TGFBR2 2/4885
US-20160257690-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885NAMPT 756/4885TGFBR2 2/4885

“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.