SCHEMBL18306437

SCHEMBL18306437

CCOc1cnc(-c2cccc(C)c2)c(-c2ccc(N)c(C=N)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 7/20 0.46
▸ ADORA1 P30542 1/20 0.37
▸ AKT1 P31749 4/20 0.37
▸ MAP4K4 O95819 2/20 0.35
▸ EP300 Q09472 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ RCOR1 Q9UKL0 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33

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
SCHEMBL17177354 0.89 FYN (0.36) KDM1AAKT1MAP4K4EP300ROCK1
SCHEMBL18306341 0.86 ADORA1 (0.42) KDM1AADORA1MAP4K4ROCK1
SCHEMBL24716156 0.85 ADORA1 (0.41) KDM1AADORA1MAP4K4ROCK1
SCHEMBL24715961 0.84 KDM1A (0.36) KDM1AAKT1MAP4K4EP300MAOB
SCHEMBL18306449 0.84 KDM1A (0.43) KDM1AAKT1
SCHEMBL18306447 0.81 KDM4E (0.40) KDM1AAKT1MAP4K4DHODHROCK1
SCHEMBL17177311 0.77 BTK (0.41) ADORA1
SCHEMBL18306366 0.76 FYN (0.36) ADORA1MAP4K4
SCHEMBL19661452 0.75 KDM1A (0.35) KDM1AAKT1ROCK1
SCHEMBL17177310 0.74 ADORA1 (0.42) ADORA1MAP4K4ROCK1

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 6 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-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 KDM1A 1981/4885ADORA1 1995/4885AKT1 576/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 KDM1A 3237/4885ADORA1 1930/4885AKT1 1115/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 KDM1A 1681/4885ADORA1 2057/4885AKT1 472/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 KDM1A 2121/4885ADORA1 2077/4885AKT1 468/4885

“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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