SCHEMBL16228001

SCHEMBL16228001

O=C(Nc1ccc2[nH]ncc2c1)NC(CO)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 16/20 1.00
▸ ROCK1 Q13464 16/20 1.00
▸ NPC1 O15118 1/20 0.56
▸ JAK2 O60674 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ PRKACA P17612 2/20 0.52
▸ RPS6KB1 P23443 2/20 0.52
▸ PRKX P51817 2/20 0.52
▸ PRKG2 Q13237 2/20 0.52
▸ CLK4 Q9HAZ1 2/20 0.52
▸ SGK2 Q9HBY8 2/20 0.52
▸ RPS6KA5 O75582 1/20 0.52
▸ CCR3 P51677 1/20 0.51
▸ AURKA O14965 1/20 0.50
▸ DYRK3 O43781 1/20 0.50
▸ PRKD3 O94806 1/20 0.50
▸ PRKCG P05129 1/20 0.50
▸ MARK3 P27448 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ AKT1 P31749 1/20 0.50

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
SCHEMBL16227999 1.00 ROCK2 (1.00) ROCK2ROCK1NPC1JAK2RAB9A
Hydrochloric Acid SCHEMBL3010160 0.80 ROCK2 (0.67) ROCK2ROCK1NPC1JAK2RAB9A
Hydrochloric Acid SCHEMBL3010159 0.80 ROCK2 (0.67) ROCK2ROCK1NPC1JAK2RAB9A
SCHEMBL5643084 0.79 ROCK2 (1.00) ROCK2ROCK1NPC1JAK2RAB9A
SCHEMBL15147870 0.78 ROCK2 (1.00) ROCK2ROCK1NPC1JAK2RAB9A
SCHEMBL15146106 0.77 ROCK2 (1.00) ROCK2ROCK1NPC1JAK2RAB9A
SCHEMBL31061022 0.77 ROCK2 (1.00) ROCK2ROCK1NPC1JAK2RAB9A
SCHEMBL3671632 0.76 ROCK2 (0.61) ROCK2ROCK1JAK2PRKACARPS6KB1
SCHEMBL3675605 0.76 ROCK2 (0.61) ROCK2ROCK1JAK2PRKACARPS6KB1
SCHEMBL15146104 0.76 ROCK2 (1.00) ROCK2ROCK1NPC1JAK2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9808447-B2 Inhibitors of Rho associated protein kinases (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-11-07 — — US disclosed
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-02-23 — — US disclosed
US-9409868-B2 Inhibitors of rho associated protein kinases (ROCK) and methods of use H. Lee Moffin Cancer Center and Research Institute, Inc. (US) 2016-08-09 — — US disclosed
US-20140336440-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2014-11-13 — — 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-20140336440-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885NPC1 3255/4885
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885NPC1 3255/4885

“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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