SCHEMBL21363976

SCHEMBL21363976

Cc1cc(-c2ncccc2-c2ccc3c(cnn3C(=O)NCCCN3CCCC3)c2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMYD2 Q9NRG4 10/20 0.41
▸ MET P08581 1/20 0.38
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ ASAH1 Q13510 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ S100A4 P26447 1/20 0.37
▸ AR P10275 1/20 0.37

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
SCHEMBL15639563 0.99 SMYD2 (0.41) SMYD2METGRIN1GRIN2BASAH1
SCHEMBL15638983 0.95 KMO (0.40) SMYD2GRIN1GRIN2BKMO
SCHEMBL15640138 0.93 AR (0.45) SMYD2AR
SCHEMBL15639638 0.89 ALDH1A1 (0.41) —
SCHEMBL15640030 0.89 ASAH1 (0.41) GRIN1GRIN2BASAH1KMOAR
SCHEMBL16460372 0.87 KMT2A (0.40) GRIN1GRIN2BASAH1KMOAR
SCHEMBL15639997 0.87 L3MBTL1 (0.39) GRIN1GRIN2BASAH1KMO
SCHEMBL15639313 0.85 KMT2A (0.38) METGRIN1GRIN2BASAH1KMO
SCHEMBL16459670 0.81 KMO (0.43) GRIN1GRIN2BKMO
SCHEMBL15637974 0.80 SMYD2 (0.44) SMYD2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 SMYD2 2412/4885MET 38/4885GRIN1 3606/4885

“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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