SCHEMBL18792298

SCHEMBL18792298

C=NNc1ccc(Nc2cc(C)nc(-c3cccc(OCC(=O)NC4CC4)c3)n2)cc1C

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 11/20 0.68
▸ ROCK1 Q13464 9/20 0.68
▸ SLC2A1 P11166 6/20 0.45
▸ SLC2A3 P11169 6/20 0.45
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL18792356 0.88 ROCK2 (0.66) ROCK2ROCK1SLC2A1SLC2A3CYP1A2
SCHEMBL17038106 0.81 ROCK2 (1.00) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL23380752 0.73 ROCK2 (0.66) ROCK2ROCK1SMN1; SMN2KMT2A
SCHEMBL24968782 0.71 KMT2A (0.43) ROCK2ROCK1CYP1A2CYP3A4CYP2C19
SCHEMBL24968709 0.71 KMT2A (0.45) ROCK2ROCK1CYP1A2CYP3A4CYP2C19
SCHEMBL18792334 0.71 ROCK2 (0.71) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL19592078 0.70 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL17038100 0.69 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL17177130 0.69 ROCK2 (0.62) ROCK2ROCK1SLC2A1SLC2A3CYP1A2
SCHEMBL20030093 0.69 ROCK1 (0.64) ROCK2ROCK1SLC2A1SLC2A3SMN1; SMN2

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 2/4885SLC2A1 3869/4885
US-11311541-B2 Treatment of GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885SLC2A1 3869/4885

“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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