SCHEMBL18041603

SCHEMBL18041603

Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3c2)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.59
ADORA2A P29274 3/20 0.45
ADORA2B P29275 3/20 0.45
ADORA1 P30542 3/20 0.45
CSNK1D P48730 1/20 0.45
CSNK1E P49674 1/20 0.45
DYRK1A Q13627 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK14 Q16539 2/20 0.43
GSK3B P49841 1/20 0.43
MAPK13 O15264 1/20 0.42
GCGR P47871 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
NAMPT P43490 1/20 0.41
PDE4A P27815 1/20 0.41
PDE3A Q14432 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
SCHEMBL18041918 0.86 TGFBR1 (0.61) TGFBR1DYRK1AHPGDMAPK14GSK3B
SCHEMBL18041698 0.86 TGFBR1 (0.53) TGFBR1DYRK1AHPGDMAPK14GSK3B
SCHEMBL29677080 0.85 TGFBR1 (0.51) TGFBR1DYRK1AHPGDMAPK14GSK3B
SCHEMBL18041976 0.85 TGFBR1 (0.51) TGFBR1DYRK1AHPGDMAPK14GSK3B
SCHEMBL18041474 0.84 TGFBR1 (0.56) TGFBR1ADORA2AADORA2BADORA1DYRK1A
SCHEMBL68360 0.81 MAPK13 (0.67) TGFBR1CSNK1DCSNK1EKDM4EHPGD
SCHEMBL18041605 0.80 TGFBR1 (0.59) TGFBR1DYRK1AKDM4EHPGDSMN1; SMN2
SCHEMBL21648685 0.79 TGFBR1 (0.65) TGFBR1MAPK14KDM5BNAMPT
SCHEMBL18042060 0.79 TGFBR1 (0.92) TGFBR1CSNK1DCSNK1EKDM4EHPGD
SCHEMBL18042075 0.79 TGFBR1 (0.71) TGFBR1ADORA2AADORA2BADORA1CSNK1D

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 19 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-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 1/4885ADORA2A 865/4885ADORA2B 740/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885ADORA2A 865/4885ADORA2B 740/4885
US-20180127426-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885ADORA2A 865/4885ADORA2B 740/4885
US-10287295-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885ADORA2A 852/4885ADORA2B 810/4885
US-20160257690-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885ADORA2A 865/4885ADORA2B 740/4885

“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.