SCHEMBL5410108

SCHEMBL5410108

CC(C)Nc1ccc2[nH]ncc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.62
ROCK1 Q13464 7/20 0.62
MAPK1 P28482 2/20 0.50
CSNK2A1 P68400 2/20 0.50
PRKD3 O94806 2/20 0.50
MAP4K4 O95819 2/20 0.50
RPS6KB1 P23443 2/20 0.50
CLK2 P49760 2/20 0.50
DYRK1A Q13627 2/20 0.50
PRKG1 Q13976 2/20 0.50
PRKD2 Q9BZL6 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
SGK2 Q9HBY8 2/20 0.50
STK17A Q9UEE5 2/20 0.50
POLB P06746 1/20 0.50
CDC7 O00311 1/20 0.50
MAPK13 O15264 1/20 0.50
DAPK3 O43293 1/20 0.50
DYRK3 O43781 1/20 0.50
RPS6KA5 O75582 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
SCHEMBL13483442 0.86 ALDH1A1 (0.62) MAPK1DYRK1ARAB9ANOS1ALDH1A1
SCHEMBL27989422 0.80 ROCK2 (0.52) ROCK2ROCK1MAPK1CSNK2A1PRKD3
SCHEMBL2569041 0.80 ROCK2 (0.63) ROCK2ROCK1MAPK1CSNK2A1PRKD3
SCHEMBL21348752 0.79 ROCK2 (0.43) ROCK2ROCK1MAPK1CSNK2A1PRKD3
SCHEMBL17210583 0.79 KCNH3 (0.62) ROCK2ROCK1POLBCDC7RAB9A
SCHEMBL5414929 0.79 ROCK2 (0.56) ROCK2ROCK1MAPK1PRKD3MAP4K4
SCHEMBL13122244 0.79 ROCK2 (0.54) ROCK2ROCK1MAPK1PIM1CDK2
SCHEMBL2565558 0.77 ROCK2 (1.00) ROCK2ROCK1MAPK1CSNK2A1PRKD3
SCHEMBL20905260 0.77 ROCK2 (0.58) ROCK2ROCK1MAPK1CSNK2A1PRKD3
SCHEMBL5564049 0.77 MKNK1 (0.60) ROCK2ROCK1MAPK1CSNK2A1PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-20220081402-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-03-17 US disclosed
US-11230535-B2 CFTR regulators and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-01-25 US disclosed
US-20200181097-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-06-11 US disclosed
US-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2020-05-14 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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 (6 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-20220081402-A1 CFTR REGULATORS AND METHODS OF USE THEREOF CFTR, SLC26A4, CLCN2 ROCK2 2702/4885ROCK1 3065/4885MAPK1 3851/4885
US-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES UBQLN1, UBQLN2, PSMB1 ROCK2 4711/4885ROCK1 4593/4885MAPK1 2655/4885
US-11230535-B2 CFTR regulators and methods of use thereof CFTR, SLC26A4, CLCN2 ROCK2 2702/4885ROCK1 3065/4885MAPK1 3851/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885MAPK1 27/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 ROCK2 4624/4885ROCK1 4476/4885MAPK1 3243/4885
US-20200181097-A1 CFTR REGULATORS AND METHODS OF USE THEREOF CFTR, SLC26A4, CLCN2 ROCK2 2702/4885ROCK1 3065/4885MAPK1 3851/4885

“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.