SCHEMBL29652339

SCHEMBL29652339

c1cc2cc(-c3cnc(N4CCNCC4)nc3)cnc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 7/20 0.54
ROCK2 O75116 3/20 0.54
AXL P30530 2/20 0.54
PIK3CD O00329 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
PIK3CG P48736 1/20 0.52
RIPK1 Q13546 4/20 0.51
MAP3K11 Q16584 1/20 0.48
PLK4 O00444 3/20 0.46
MAP4K4 O95819 3/20 0.46
ROS1 P08922 3/20 0.46
MARK3 P27448 3/20 0.46
FLT4 P35916 3/20 0.46
KDR P35968 3/20 0.46
CLK2 P49760 3/20 0.46
CSNK1G2 P78368 3/20 0.46
ROCK1 Q13464 3/20 0.46
MINK1 Q8N4C8 3/20 0.46
AURKB Q96GD4 3/20 0.46

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
SCHEMBL29652391 0.89 CDK8 (0.56) CDK8ROCK2AXLPIK3CDPIK3CA
SCHEMBL29652420 0.85 PLK4 (0.58) CDK8ROCK2AXLPIK3CDPIK3CA
SCHEMBL28502063 0.85 CDK8 (0.52) CDK8ROCK2AXLPIK3CDPIK3CA
SCHEMBL30376973 0.85 RIPK1 (0.57) CDK8ROCK2AXLPIK3CDPIK3CA
SCHEMBL30376196 0.84 MAP3K11 (0.66) CDK8ROCK2AXLPIK3CDPIK3CA
SCHEMBL29652315 0.84 RIPK1 (0.52) CDK8ROCK2AXLPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL30313452 0.83 MAP3K11 (0.65) CDK8ROCK2AXLPIK3CDPIK3CA
SCHEMBL4831501 0.78 CDK8 (0.81) CDK8ROCK2AXLPIK3CDPIK3CA
SCHEMBL30597879 0.78 RIPK1 (0.49) CDK8ROCK2AXLPIK3CDPIK3CA
SCHEMBL30945083 0.78 ROCK2 (0.50) ROCK2ROCK1

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-20250195516-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2025-06-19 US disclosed
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2023-09-07 US disclosed
EP-4168407-A1 BRAF DEGRADERS C4 Therapeutics, Inc. (US) 2023-04-26 EP disclosed
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2022-05-24 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-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 CDK8 69/4885ROCK2 343/4885AXL 1476/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 CDK8 69/4885ROCK2 343/4885AXL 1476/4885
US-20250195516-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 CDK8 69/4885ROCK2 343/4885AXL 1476/4885

“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.