SCHEMBL18306301

SCHEMBL18306301

CC(=O)Nc1cnc(-c2cccc(C3CC3)c2)c(-c2ccc(N)c(C=N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.42
▸ TGFBR1 P36897 1/20 0.38
▸ TGFBR2 P37173 1/20 0.38
▸ RAF1 P04049 3/20 0.37
▸ BRAF P15056 3/20 0.37
▸ USP7 Q93009 2/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ MCHR1 Q99705 4/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35

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
SCHEMBL19661652 0.88 DHODH (0.38) DHODHRAF1BRAFMAPK1PRKCI
SCHEMBL18306335 0.86 DHODH (0.38) DHODHTGFBR1FYNMAPK1KDM1A
SCHEMBL17177314 0.84 DHODH (0.36) DHODH
SCHEMBL17177309 0.83 DHODH (0.33) DHODH
SCHEMBL18306350 0.80 TGFBR1 (0.39) TGFBR1TGFBR2USP7FYNMAP4K4
SCHEMBL15638460 0.78 ROCK2 (0.48) DHODHMAPK1MAP4K4CHEK2
SCHEMBL18306347 0.74 ADORA2B (0.34) TGFBR1
SCHEMBL17177311 0.71 BTK (0.41) TGFBR1RAF1FYNMAPK1HSP90AA1
SCHEMBL18306341 0.69 ADORA1 (0.42) TGFBR1FYNKDM1AMAP4K4
SCHEMBL18306360 0.69 IRAK4 (0.35) BRAFKDM1AMAP4K4

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 7 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 DHODH 1945/4885TGFBR1 1/4885TGFBR2 2/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 DHODH 4754/4885TGFBR1 128/4885TGFBR2 112/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 DHODH 2127/4885TGFBR1 2/4885TGFBR2 3/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 DHODH 2040/4885TGFBR1 3/4885TGFBR2 1/4885

“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.

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