SCHEMBL18306345

SCHEMBL18306345

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 0.39
▸ PTGS1 P23219 7/20 0.38
▸ ABCC4 O15439 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ MAP4K4 O95819 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ RET P07949 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PRKACA P17612 1/20 0.36

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
SCHEMBL18306367 0.90 AURKA (0.37) PTGS2PTGS1MAP4K4AURKADAPK3
SCHEMBL18306344 0.90 MAP4K4 (0.37) PTGS2PTGS1MAP4K4AURKADAPK3
SCHEMBL18306348 0.90 RPS6KA3 (0.37) PTGS2PTGS1MAPK14MAP4K4AURKA
SCHEMBL18306440 0.86 AURKA (0.34) PTGS2PTGS1MAP4K4AURKADAPK3
SCHEMBL24715961 0.84 KDM1A (0.36) MAP4K4AURKADAPK3JAK2PRKD3
SCHEMBL18306350 0.81 TGFBR1 (0.39) MAPK14MAP4K4AURKADAPK3JAK2
SCHEMBL18306360 0.81 IRAK4 (0.35) PTGS2PTGS1MAPK14MAP4K4AURKA
SCHEMBL17177325 0.81 ABL1 (0.36) PTGS2PTGS1MAP4K4AURKADAPK3
SCHEMBL18306300 0.81 USP7 (0.34) PTGS2PTGS1PIM1GSK3ARPS6KA3
SCHEMBL18306349 0.79 ADORA2B (0.41) PTGS2PTGS1MAP4K4AURKADAPK3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 — — EP disclosed
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 PTGS2 388/4885PTGS1 314/4885ABCC4 1871/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 PTGS2 1658/4885PTGS1 762/4885ABCC4 3641/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 PTGS2 464/4885PTGS1 457/4885ABCC4 3209/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 PTGS2 506/4885PTGS1 528/4885ABCC4 3109/4885

“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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