SCHEMBL18042060

SCHEMBL18042060

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

nearest known ligand 0.92

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.92
MAPK14 Q16539 9/20 0.48
NAMPT P43490 4/20 0.45
GSK3B P49841 3/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 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
SCHEMBL21648685 0.83 TGFBR1 (0.65) TGFBR1MAPK14NAMPT
SCHEMBL20379830 0.83 TGFBR1 (0.68) TGFBR1MAPK14
SCHEMBL18041603 0.79 TGFBR1 (0.59) TGFBR1MAPK14NAMPTGSK3BKDM4E
SCHEMBL5775207 0.78 TGFBR1 (0.58) TGFBR1MAPK14KDM4EALDH1A1HPGD
SCHEMBL5776308 0.78 TGFBR1 (0.58) TGFBR1MAPK14GSK3BKDM4EALDH1A1
SCHEMBL18041474 0.77 TGFBR1 (0.56) TGFBR1MAPK14NAMPTGSK3B
SCHEMBL68360 0.74 MAPK13 (0.67) TGFBR1MAPK14GSK3BKDM4EALDH1A1
SCHEMBL18042003 0.74 TGFBR1 (0.69) TGFBR1MAPK14NAMPTCSNK1DCSNK1E
SCHEMBL18042075 0.72 TGFBR1 (0.71) TGFBR1MAPK14NAMPTKDM4ECSNK1D
SCHEMBL27399209 0.72 TGFBR1 (0.60) TGFBR1MAPK14NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287295-B2 TGF-β inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-05-14 US claimed
US-20180127426-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-05-10 US claimed
US-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US claimed
US-20160257690-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2016-09-08 US claimed
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 1/4885MAPK14 2266/4885NAMPT 756/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 2266/4885NAMPT 756/4885
US-20180127426-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 2266/4885NAMPT 756/4885
US-10287295-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 2085/4885NAMPT 643/4885
US-20160257690-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 2266/4885NAMPT 756/4885

“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.