SCHEMBL18712089

SCHEMBL18712089

CCCNC(=O)Nc1cnc(-c2cccc(C)c2)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 11/20 0.46
▸ ROCK2 O75116 11/20 0.46
▸ AURKA O14965 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ STK3 Q13188 1/20 0.42
▸ ERBB4 Q15303 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ PLK3 Q9H4B4 1/20 0.42
▸ SGK2 Q9HBY8 1/20 0.42
▸ TRPA1 O75762 2/20 0.42
▸ KIT P10721 1/20 0.41

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
SCHEMBL18712023 0.88 ROCK2 (0.42) ROCK1ROCK2RPS6KB1TRPA1MAPK14
SCHEMBL15639401 0.86 ROCK1 (0.53) ROCK1ROCK2AURKAERBB2CSF1R
SCHEMBL15638875 0.86 ROCK1 (0.43) ROCK1ROCK2AURKAERBB2CSF1R
SCHEMBL15638690 0.79 MAPK14 (0.47) ROCK1ROCK2RPS6KB1TRPA1TGFBR1
SCHEMBL16473226 0.78 TRPA1 (0.54) ROCK2AURKBTRPA1TGFBR1MAPK14
SCHEMBL15639986 0.75 FGFR1 (0.51) ROCK2AURKBTRPA1TGFBR1MAPK14
SCHEMBL30117579 0.75 FGFR1 (0.51) ROCK2AURKBTRPA1TGFBR1MAPK14
SCHEMBL12059777 0.75 ROCK2 (0.70) ROCK1ROCK2AURKARPS6KB1AKT1
SCHEMBL15639962 0.73 NPY1R (0.43) ROCK1ROCK2RPS6KB1AKT1STK3
SCHEMBL15638460 0.73 ROCK2 (0.48) ROCK1ROCK2RPS6KB1AKT1KDR

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
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-9878992-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-01-30 — — US disclosed
US-20170342048-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2017-11-30 — — US disclosed
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use MIDCAP FINANCIAL TRUST 2017-04-06 — — 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 (5 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 ROCK1 471/4885ROCK2 416/4885AURKA 365/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 ROCK1 229/4885ROCK2 500/4885AURKA 3992/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 ROCK1 306/4885ROCK2 202/4885AURKA 312/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 ROCK1 424/4885ROCK2 267/4885AURKA 330/4885
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR1, TGFBR2, ACVR1 ROCK1 471/4885ROCK2 416/4885AURKA 365/4885

“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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