SCHEMBL18792334

SCHEMBL18792334

C=NNc1ccc(Nc2nc(-c3cccc(OCC(=O)Nc4ccnnc4)c3)ncc2C)cc1C

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 13/20 0.71
▸ ROCK1 Q13464 7/20 0.71
▸ HAVCR2 Q8TDQ0 2/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ SLC2A3 P11169 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ BLK P51451 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ STK3 Q13188 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ CDK8 P49336 1/20 0.38

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
SCHEMBL17070953 0.83 ROCK2 (1.00) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL17038099 0.81 ROCK2 (0.70) ROCK2ROCK1HAVCR2NOTUMSLC2A1
SCHEMBL18792356 0.73 ROCK2 (0.66) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL18792298 0.71 ROCK2 (0.68) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL23380752 0.69 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL17038102 0.68 ROCK2 (1.00) ROCK2ROCK1SLC2A1SLC2A3CLK2
SCHEMBL20030093 0.68 ROCK1 (0.64) ROCK2ROCK1SLC2A1SLC2A3CLK2
SCHEMBL17040533 0.67 ROCK2 (1.00) ROCK2ROCK1SLC2A1SLC2A3CLK2
SCHEMBL24943925 0.67 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL24862354 0.67 ROCK2 (0.69) ROCK2ROCK1SLC2A1SLC2A3CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11311541-B2 Treatment of GVHD KADMON CORPORATION, LLC (US) 2022-04-26 — — US disclosed
US-20170112832-A1 TREATMENT OF GVHD KADMON CORPORATION, LLC 2017-04-27 — — 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 (2 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-20170112832-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885HAVCR2 920/4885
US-11311541-B2 Treatment of GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885HAVCR2 920/4885

“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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