SCHEMBL18041474

SCHEMBL18041474

CCc1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3c2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.56
MAPK14 Q16539 3/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
MAPK13 O15264 1/20 0.42
GCGR P47871 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
NAMPT P43490 2/20 0.42
CYP3A4 P08684 1/20 0.42
DYRK1A Q13627 2/20 0.42
ADORA2A P29274 3/20 0.41
ADORA2B P29275 3/20 0.41
ADORA1 P30542 3/20 0.41
MET P08581 1/20 0.40
KDM5B Q9UGL1 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
SCHEMBL18041646 0.88 TGFBR1 (0.49) TGFBR1MAPK14GSK3AGSK3BMAPK13
SCHEMBL29677058 0.88 TGFBR1 (0.49) TGFBR1MAPK14GSK3AGSK3BMAPK13
SCHEMBL18041938 0.87 TGFBR1 (0.57) TGFBR1MAPK14GSK3AGSK3BNAMPT
SCHEMBL29677005 0.87 TGFBR1 (0.48) TGFBR1MAPK14GSK3AGSK3BCYP3A4
SCHEMBL18041633 0.87 TGFBR1 (0.48) TGFBR1MAPK14GSK3AGSK3BCYP3A4
SCHEMBL29676985 0.85 TGFBR1 (0.56) TGFBR1MAPK14GSK3AGSK3BDYRK1A
SCHEMBL18041870 0.85 TGFBR1 (0.56) TGFBR1MAPK14GSK3AGSK3BDYRK1A
SCHEMBL18041603 0.84 TGFBR1 (0.59) TGFBR1MAPK14GSK3BMAPK13GCGR
SCHEMBL18041851 0.82 TGFBR1 (0.63) TGFBR1MAPK14CYP3A4DYRK1A
SCHEMBL18041535 0.81 TGFBR1 (0.49) TGFBR1MAPK14MAPK13MAPK12MAPK11

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 15 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
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-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 2266/4885GSK3A 51/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 2266/4885GSK3A 51/4885
US-20180127426-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 2266/4885GSK3A 51/4885
US-10287295-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 2085/4885GSK3A 47/4885
US-20160257690-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 2266/4885GSK3A 51/4885

“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.