SCHEMBL18306440

SCHEMBL18306440

COc1cnc(-c2ccc(F)c(C)c2)c(-c2ccc(N)c(C=N)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ KDR P35968 1/20 0.34
▸ MAP2K2 P36507 1/20 0.34
▸ FLT3 P36888 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
SCHEMBL24715961 0.90 KDM1A (0.36) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL18306367 0.87 AURKA (0.37) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL18306344 0.87 MAP4K4 (0.37) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL18306348 0.87 RPS6KA3 (0.37) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL18306345 0.86 PTGS2 (0.39) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL18306449 0.81 KDM1A (0.43) KDM1ACYP11B1CYP11B2
SCHEMBL17177325 0.79 ABL1 (0.36) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL18306360 0.79 IRAK4 (0.35) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL18306350 0.79 TGFBR1 (0.39) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL18306300 0.79 USP7 (0.34) PIM1GSK3ARPS6KA3KDM1AALOX5AP

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 5 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-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 AURKA 365/4885DAPK3 1465/4885JAK2 775/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 AURKA 3992/4885DAPK3 2196/4885JAK2 2490/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 AURKA 312/4885DAPK3 485/4885JAK2 713/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 AURKA 330/4885DAPK3 562/4885JAK2 746/4885

“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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