SCHEMBL20422255

SCHEMBL20422255

[CH2]Cc1ccn(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.51
PDE10A Q9Y233 1/20 0.51
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
CYP2C9 P11712 2/20 0.43
CYP2C8 P10632 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
MPO P05164 1/20 0.42
TPO P07202 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL15603518 0.82 L3MBTL1 (0.56) CASRPDE10AHDAC6HDAC3HDAC1
SCHEMBL294640 0.81 ALDH1A1 (0.44) CASRPDE10ACYP3A4MAPTL3MBTL1
SCHEMBL12375939 0.80 CASR (0.55) CASRPDE10AHDAC6HDAC3HDAC1
SCHEMBL10097904 0.80 CASR (0.51) CASRPDE10AHDAC6HDAC3HDAC1
SCHEMBL13741120 0.80 CASR (0.55) CASRPDE10AHDAC6HDAC3HDAC1
SCHEMBL28112443 0.80 CASR (0.51) CASRPDE10AHDAC6HDAC3HDAC1
SCHEMBL28800041 0.78 CASR (0.54) CASRPDE10AHDAC6HDAC3HDAC1
SCHEMBL17356076 0.77 PDE10A (0.60) CASRPDE10AHDAC6HDAC3HDAC1
SCHEMBL29655227 0.77 PDE10A (0.56) CASRPDE10AHDAC6HDAC3HDAC1
SCHEMBL14736545 0.77 PDE10A (0.56) CASRPDE10AHDAC6HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110248939-B Tyrosine amide derivatives as RHO-kinase inhibitors 奇斯药制品公司 2022-05-17 CN claimed
US-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2021-03-23 US claimed
EP-3573987-B1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-03-10 EP claimed
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-03-12 US claimed
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 US claimed
WO-2018138293-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 WO claimed
CN-110248939-B Tyrosine amide derivatives as RHO-kinase inhibitors 奇斯药制品公司 2022-05-17 CN disclosed
US-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2021-03-23 US disclosed
EP-3573987-B1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-03-10 EP disclosed
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-03-12 US disclosed
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 US disclosed
WO-2018138293-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 WO 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-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT CASR 3789/4885PDE10A 458/4885HDAC6 340/4885
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT CASR 3789/4885PDE10A 458/4885HDAC6 340/4885
US-20180215758-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT CASR 3789/4885PDE10A 458/4885HDAC6 340/4885

“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.