SCHEMBL18306360

SCHEMBL18306360

Cc1cc(-c2ncc(NC3CC3)cc2-c2ccc(N)c(C=N)c2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ GSK3B P49841 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ RET P07949 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ MET P08581 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ LTK P29376 1/20 0.34
▸ GRK5 P34947 1/20 0.34

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
SCHEMBL17177325 0.83 ABL1 (0.36) GSK3BCLK4AURKADAPK3JAK2
SCHEMBL18306350 0.83 TGFBR1 (0.39) GSK3BCLK4AURKADAPK3JAK2
SCHEMBL18306367 0.82 AURKA (0.37) GSK3BCLK4AURKADAPK3JAK2
SCHEMBL18306344 0.82 MAP4K4 (0.37) GSK3BCLK4AURKADAPK3JAK2
SCHEMBL18306348 0.82 RPS6KA3 (0.37) GSK3BCLK4AURKADAPK3JAK2
SCHEMBL18306345 0.81 PTGS2 (0.39) GSK3BCLK4AURKADAPK3JAK2
SCHEMBL18306440 0.79 AURKA (0.34) GSK3BCLK4AURKADAPK3JAK2
SCHEMBL24715961 0.77 KDM1A (0.36) GSK3BCLK4AURKADAPK3JAK2
SCHEMBL18306300 0.77 USP7 (0.34) PIM1GSK3ARPS6KA3USP2CYP1A2
SCHEMBL15639268 0.77 TGFBR1 (0.39) GSK3BFLT3GRIN2BMAPK14CYP1A2

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 IRAK4 249/4885GSK3B 57/4885CLK4 3205/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 IRAK4 3118/4885GSK3B 1362/4885CLK4 4405/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 IRAK4 342/4885GSK3B 55/4885CLK4 3110/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 IRAK4 406/4885GSK3B 64/4885CLK4 3162/4885

“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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