SCHEMBL17040608

SCHEMBL17040608

CCCC(=O)Nc1cccc(-c2ncc(C(F)(F)F)c(Nc3ccc4[nH]ncc4c3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 16/20 0.67
▸ PRKD3 O94806 2/20 0.62
▸ MET P08581 1/20 0.62
▸ ROCK1 Q13464 9/20 0.58
▸ CSNK2A1 P68400 2/20 0.58
▸ STK3 Q13188 2/20 0.58
▸ AURKB Q96GD4 2/20 0.58
▸ CLK4 Q9HAZ1 2/20 0.58
▸ STK17A Q9UEE5 2/20 0.58
▸ PLK4 O00444 1/20 0.58
▸ CHEK2 O96017 1/20 0.58
▸ PRKCG P05129 1/20 0.58
▸ PHKG2 P15735 1/20 0.58
▸ CDK2 P24941 1/20 0.58
▸ AKT1 P31749 1/20 0.58
▸ AKT2 P31751 1/20 0.58
▸ MAP2K2 P36507 1/20 0.58
▸ PRKCI P41743 1/20 0.58
▸ MAPKAPK2 P49137 1/20 0.58
▸ PRKCQ Q04759 1/20 0.58

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
SCHEMBL17040585 0.83 ROCK2 (0.75) ROCK2PRKD3METROCK1CSNK2A1
SCHEMBL882785 0.82 ROCK2 (0.74) ROCK2PRKD3METROCK1CSNK2A1
SCHEMBL17040605 0.82 ROCK2 (0.70) ROCK2PRKD3METROCK1
SCHEMBL19591997 0.81 ROCK2 (0.44) ROCK2PRKD3METROCK1CSNK2A1
SCHEMBL10220857 0.80 PRKD3 (0.76) ROCK2PRKD3METROCK1CSNK2A1
SCHEMBL17040576 0.80 ROCK2 (1.00) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL17040581 0.80 ROCK2 (0.87) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL10218675 0.79 ROCK2 (0.82) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL24271400 0.79 ROCK2 (0.62) ROCK2ROCK1CSNK2A1STK3AURKB
SCHEMBL882941 0.79 ROCK2 (0.69) ROCK2PRKD3METROCK1CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220395501-A1 TREATMENT OF GVHD KADMON CORP LLC (US) 2022-12-15 — — US disclosed
US-11311541-B2 Treatment of GVHD KADMON CORPORATION, LLC (US) 2022-04-26 — — US disclosed
US-20210147391-A1 RHO KINASE INHIBITORS KADMON CORPORATION LLC 2021-05-20 — — US disclosed
US-10696660-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2020-06-30 — — US disclosed
US-20190308953-A1 RHO KINASE INHIBITORS KADMON CORPORATION LLC 2019-10-10 — — US disclosed
US-10183931-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2019-01-22 — — US disclosed
US-20170112832-A1 TREATMENT OF GVHD KADMON CORPORATION, LLC 2017-04-27 — — US disclosed
US-20150238601-A1 TREATMENT OF OCULAR DISORDERS KADMON CORPORATION, LLC 2015-08-27 — — 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 (8 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-10696660-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ROCK2 1/4885PRKD3 166/4885MET 669/4885
US-20170112832-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885PRKD3 775/4885MET 2117/4885
US-10183931-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ROCK2 1/4885PRKD3 166/4885MET 669/4885
US-20150238601-A1 TREATMENT OF OCULAR DISORDERS ROCK2, KDR, FLT1 ROCK2 1/4885PRKD3 790/4885MET 182/4885
US-20220395501-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOXF2 ROCK2 1/4885PRKD3 838/4885MET 1932/4885
US-20190308953-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885PRKD3 166/4885MET 669/4885
US-11311541-B2 Treatment of GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885PRKD3 775/4885MET 2117/4885
US-20210147391-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885PRKD3 166/4885MET 669/4885

“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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