SCHEMBL13609267

SCHEMBL13609267

CN(C)c1ccc(-c2cnc3c(c2)c(C#Cc2ccccc2)cn3SOOc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 4/20 0.38
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ GRM5 P41594 2/20 0.32
▸ ADK P55263 2/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ APP P05067 2/20 0.31
▸ AURKA O14965 1/20 0.30

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
SCHEMBL13609206 0.89 CNR1 (0.35) MAPK8MAPK9MAPK10GSK3BPDGFRB
SCHEMBL13609221 0.84 MAPK8 (0.37) MAPK8MAPK9MAPK10GSK3BGRM5
SCHEMBL13609218 0.80 GRM5 (0.33) GRM5
SCHEMBL14499703 0.80 GRM5 (0.41) AAK1MAPK8MAPK9MAPK10GSK3B
SCHEMBL13745875 0.79 CDK8 (0.39) MAPK8MAPK9MAPK10PDGFRBPDGFRA
SCHEMBL13609212 0.78 AAK1 (0.38) AAK1MAPK8MAPK9MAPK10GSK3B
SCHEMBL14499704 0.73 GSK3B (0.37) AAK1MAPK8MAPK9MAPK10GSK3B
SCHEMBL13609215 0.73 ADK (0.35) AAK1MAPK8MAPK9MAPK10GSK3B
SCHEMBL4193535 0.69 AAK1 (0.67) AAK1MAPK8MAPK9MAPK10GSK3B
SCHEMBL13609202 0.69 CHEK1 (0.39) PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612086-B2 Jun N-terminal kinase inhibitors; 1H-pyrrolo[2,3-b]pyridines 3-substituted with a C 5-7 carbocycle and 5-substituted by a 5-member heterocycle; 3-(p-(dimethylamino)phenyl)-5-(2-thiazolyl-1H-pyrrolo[2,3-b]pyridine; neurodegenerative disorders related to apoptosis and/or inflammation EISAI R & D MANAGEMENT CO. LTD. (JP) 2009-11-03 — — US disclosed
US-20070142366-A1 Jun N-terminal kinase inhibitors; 1H-pyrrolo[2,3-b]pyridines 3-substituted with a C 5-7 carbocycle and 5-substituted by a 5-member heterocycle; 3-(p-(dimethylamino)phenyl)-5-(2-thiazolyl-1H-pyrrolo[2,3-b]pyridine; neurodegenerative disorders related to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2007-06-21 — — 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 (1 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-20070142366-A1 Jun N-terminal kinase inhibitors; 1H-pyrrolo[2,3-b]pyridines 3-substituted with a C 5-7 carbocycle and 5-substituted by a 5-member heterocycle; 3-(p-(dimethylamino)phenyl)-5-(2-thiazolyl-1H-pyrrolo[2,3-b]pyridine; neurodegenerative disorders related to apoptosis and/or inflammation API5, MAP3K5, MAP3K7 AAK1 152/4885MAPK8 111/4885MAPK9 78/4885

“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.

Send feedback