SCHEMBL5409208

SCHEMBL5409208

CN(C)C(=O)c1ccc2[nH]ncc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.58
ROCK1 Q13464 4/20 0.58
CTNNB1 P35222 6/20 0.57
WNT3A P56704 6/20 0.57
MAOB P27338 4/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PRKD3 O94806 2/20 0.48
RPS6KB1 P23443 2/20 0.48
CLK2 P49760 2/20 0.48
DYRK1A Q13627 2/20 0.48
PRKG1 Q13976 2/20 0.48
PRKD2 Q9BZL6 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
SGK2 Q9HBY8 2/20 0.48
MAP4K4 O95819 1/20 0.48
STK17A Q9UEE5 1/20 0.48
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47

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
SCHEMBL22259503 0.88 GSK3B (0.56) ROCK2ROCK1CTNNB1WNT3AMAOB
SCHEMBL30715237 0.87 MAOB (0.51) ROCK2ROCK1MAOBCLK2DYRK1A
SCHEMBL3637193 0.85 CTNNB1 (0.52) ROCK2ROCK1CTNNB1WNT3AMAOB
SCHEMBL31580716 0.83 CTNNB1 (0.53) ROCK2ROCK1CTNNB1WNT3AMAOB
SCHEMBL29521387 0.81 ROCK2 (0.64) ROCK2ROCK1CTNNB1WNT3AMAOB
SCHEMBL122504 0.81 ROCK2 (0.64) ROCK2ROCK1CTNNB1WNT3AMAOB
SCHEMBL5415947 0.81 NPC1 (0.53) ROCK2ROCK1CTNNB1WNT3ANPC1
SCHEMBL5407632 0.81 CTNNB1 (0.54) ROCK2ROCK1CTNNB1WNT3AMAOB
SCHEMBL30270547 0.80 CTNNB1 (0.65) ROCK2ROCK1CTNNB1WNT3AMAOB
SCHEMBL261380 0.80 CTNNB1 (0.65) ROCK2ROCK1CTNNB1WNT3AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649255-B2 Indazoles as hematopoietic progenitor kinase 1 (HPK1) inhibitors and methods using same 1ST Biotherapeutics, Inc. (KR) 2023-05-16 US disclosed
US-20220098193-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS USING SAME 1ST Biotherapeutics, Inc. 2022-03-31 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 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 (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-11649255-B2 Indazoles as hematopoietic progenitor kinase 1 (HPK1) inhibitors and methods using same IP6K1, HIPK1, IP6K3 ROCK2 1025/4885ROCK1 693/4885CTNNB1 1282/4885
US-20220098193-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS USING SAME IP6K1, HIPK1, IP6K3 ROCK2 1025/4885ROCK1 693/4885CTNNB1 1282/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885CTNNB1 2647/4885

“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.