SCHEMBL4516268

SCHEMBL4516268

O=C(O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.57
ROCK1 Q13464 6/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
STAT3 P40763 1/20 0.56
MDM2 Q00987 1/20 0.54
GAA P10253 1/20 0.53
TAAR1 Q96RJ0 2/20 0.52
AAK1 Q2M2I8 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RAB9A P51151 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
JAK2 O60674 1/20 0.48
TYK2 P29597 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL1234281 0.87 MDM2 (0.70) SMN1; SMN2POLBSTAT3MDM2GAA
SCHEMBL28386018 0.87 SMN1; SMN2 (0.61) SMN1; SMN2TAAR1RAB9AHTTL3MBTL1
SCHEMBL22284888 0.86 TSHR (0.66) ROCK2ROCK1POLBRAB9AKMT2A
SCHEMBL3728246 0.82 SMN1; SMN2 (0.76) SMN1; SMN2POLBMDM2GAAAAK1
SCHEMBL4630961 0.82 KIF11 (0.63) ROCK2ROCK1SMN1; SMN2POLBSTAT3
Carbamic Acid SCHEMBL28283812 0.81 MDM2 (0.61) ROCK2ROCK1SMN1; SMN2POLBSTAT3
SCHEMBL6621497 0.80 PTPN1 (0.69) SMN1; SMN2TAAR1HDAC1HDAC6RAB9A
SCHEMBL23734986 0.80 GAA (0.85) SMN1; SMN2POLBSTAT3GAAHDAC1
SCHEMBL30828573 0.80 GAA (0.78) SMN1; SMN2POLBSTAT3GAAHDAC1
SCHEMBL30828578 0.80 GAA (0.78) SMN1; SMN2POLBSTAT3GAAHDAC1

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 7 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
WO-2013112722-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2013-08-01 WO disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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 (3 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 1/4885SMN1; SMN2 3711/4885
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885SMN1; SMN2 3711/4885
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885SMN1; SMN2 3046/4885

“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.