SCHEMBL16473282

SCHEMBL16473282

Cc1cn2cc(-c3cccnc3-c3cccc(C(F)(F)F)c3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.47
MCHR1 Q99705 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GABRA1 P14867 1/20 0.41
HPGD P15428 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK13 O15264 1/20 0.41
LYN P07948 1/20 0.41
KIT P10721 1/20 0.41
BRAF P15056 1/20 0.41
PDGFRA P16234 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
SCHEMBL15638903 0.87 TGFBR1 (0.53) TGFBR1MAPK14
SCHEMBL15640122 0.83 TGFBR1 (0.55) TGFBR1MCHR1KDM4EHSD17B10CYP1A2
SCHEMBL15639244 0.81 TGFBR1 (0.48) TGFBR1KDM4EHSD17B10
SCHEMBL15638552 0.81 TGFBR1 (0.52) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL15638032 0.79 TGFBR1 (0.46) TGFBR1
SCHEMBL15639381 0.77 TGFBR1 (0.46) TGFBR1KCNA5KCNH2
SCHEMBL15639254 0.75 TGFBR1 (0.56) TGFBR1
SCHEMBL15639140 0.74 TGFBR1 (0.46) TGFBR1KCNA5KCNH2
SCHEMBL15638627 0.74 TGFBR1 (0.68) TGFBR1
SCHEMBL15638648 0.74 TGFBR1 (0.65) TGFBR1HSD17B10CYP1A2CYP3A4HPGD

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-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2020-12-08 US disclosed
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 US disclosed
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2019-03-19 US disclosed
US-9878992-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-9878992-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-20170342048-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2017-11-30 US disclosed
US-20170342048-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2017-11-30 US disclosed
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use MIDCAP FINANCIAL TRUST 2017-04-06 US disclosed
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use MIDCAP FINANCIAL TRUST 2017-04-06 US disclosed
US-9518040-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-12-13 US disclosed
US-9518040-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-12-13 US disclosed
US-9145433-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-09-29 US disclosed
US-9145433-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-09-29 US disclosed
US-20140107073-A1 GDF-8 Inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
US-20140107073-A1 GDF-8 Inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-04-17 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 (6 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-20140107073-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 TGFBR1 128/4885MCHR1 1567/4885KDM4E 3151/4885
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 TGFBR1 1/4885MCHR1 4507/4885KDM4E 794/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 TGFBR1 128/4885MCHR1 1567/4885KDM4E 3151/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 TGFBR1 2/4885MCHR1 4405/4885KDM4E 984/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 TGFBR1 3/4885MCHR1 4447/4885KDM4E 1322/4885
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR1, TGFBR2, ACVR1 TGFBR1 1/4885MCHR1 4507/4885KDM4E 794/4885

“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.