SCHEMBL18306447

SCHEMBL18306447

CCOc1cnc(-c2ccccc2F)c(-c2ccc(N)c(C=N)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAP4K4 O95819 1/20 0.35
▸ AKT1 P31749 5/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ ALOX5AP P20292 4/20 0.34
▸ FEN1 P39748 4/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ USP7 Q93009 1/20 0.33
▸ GAA P10253 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
SCHEMBL18306449 0.86 KDM1A (0.43) KDM4EALDH1A1NPC1RAB9AAKT1
SCHEMBL17177354 0.84 FYN (0.36) MAP4K4AKT1ROCK1KDM1AGAA
SCHEMBL24715961 0.84 KDM1A (0.36) NPC1RAB9AMAP4K4AKT1CYP11B1
SCHEMBL18306342 0.84 KMT2A (0.40) MAP4K4DHODHALOX5APFEN1FGFR1
SCHEMBL18306437 0.81 KDM1A (0.46) MAP4K4AKT1DHODHROCK1KDM1A
SCHEMBL19661452 0.81 KDM1A (0.35) KDM4EALDH1A1AKT1ALOX5APFEN1
SCHEMBL18306440 0.74 AURKA (0.34) MAP4K4ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL15639774 0.74 TRPA1 (0.62) FGFR1FGFR2FGFR3
SCHEMBL18306302 0.72 MAP4K4 (0.44) NPC1MAP4K4DHODHALOX5APFEN1
SCHEMBL18306300 0.69 USP7 (0.34) ALDH1A1ALOX5APFEN1KDM1AUSP7

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 KDM4E 794/4885ALDH1A1 1028/4885LMNA 2723/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 KDM4E 3151/4885ALDH1A1 4746/4885LMNA 958/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 KDM4E 984/4885ALDH1A1 2008/4885LMNA 2828/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 KDM4E 1322/4885ALDH1A1 1958/4885LMNA 2617/4885

“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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