SCHEMBL19976237

SCHEMBL19976237

c1cnc2cc(-c3cnc4[nH]ccc4c3)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 11/20 0.52
AXL P30530 3/20 0.52
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
NUDT1 P36639 2/20 0.50
RIPK1 Q13546 4/20 0.47
PLK4 O00444 2/20 0.45
ROCK2 O75116 2/20 0.45
PRKD3 O94806 2/20 0.45
MAP4K4 O95819 2/20 0.45
INSR P06213 2/20 0.45
CDK1 P06493 2/20 0.45
ROS1 P08922 2/20 0.45
FER P16591 2/20 0.45
CDK2 P24941 2/20 0.45
MARK3 P27448 2/20 0.45
FLT4 P35916 2/20 0.45
KDR P35968 2/20 0.45

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
SCHEMBL22546457 0.77 AXL (0.46) AXLNUDT1CDK1CDK5MAPK1
SCHEMBL24067664 0.77 PIK3CD (0.60) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL4831501 0.74 CDK8 (0.81) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL24380323 0.73 AKT1 (0.39) PIK3CA
SCHEMBL1484236 0.73 CDK8 (0.49) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL13577845 0.73 CDK8 (0.49) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL1484246 0.73 CDK8 (0.49) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL1422756 0.73 CYP19A1 (0.52) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL1484606 0.73 CDK8 (0.49) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL13577819 0.73 CDK8 (0.49) CDK8AXLPIK3CDPIK3CAPIK3CB

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-11534439-B2 Dihydroquinoxaline and dihydropyridopyrazine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2022-12-27 US disclosed
US-20220016112-A1 DIHYDROQUINOXALINE AND DIHYDROPYRIDOPYRAZINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2022-01-20 US disclosed
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
US-9920035-B2 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-20 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-11534439-B2 Dihydroquinoxaline and dihydropyridopyrazine derivatives as RSV inhibitors SIRT5, QDPR, NOX5 CDK8 1947/4885AXL 2324/4885PIK3CD 2686/4885
US-20220016112-A1 DIHYDROQUINOXALINE AND DIHYDROPYRIDOPYRAZINE DERIVATIVES AS RSV INHIBITORS SIRT5, QDPR, NOX5 CDK8 1947/4885AXL 2324/4885PIK3CD 2686/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 CDK8 1116/4885AXL 1033/4885PIK3CD 3619/4885

“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.