SCHEMBL14499704

SCHEMBL14499704

CN(C)c1ccc(-c2cnc3c(c2)c(C#CCOc2ccccc2)cn3C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.37
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33

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
SCHEMBL14499703 0.85 GRM5 (0.41) GSK3BMAPK8MAPK9MAPK10KDM4E
SCHEMBL13609260 0.79 MAP4K1 (0.37) GSK3BMAPK8MAPK9MAPK10KDM4E
SCHEMBL14499709 0.78 GSK3B (0.36) GSK3BMAPK8MAPK9MAPK10KDM4E
SCHEMBL13609267 0.73 AAK1 (0.38) GSK3BMAPK8MAPK9MAPK10PDGFRB
SCHEMBL31513346 0.71 NTRK1 (0.42) EGFREGLN1NTRK1
SCHEMBL14499708 0.71 USP2 (0.34) MAPK8MAPK9MAPK10PDGFRBPDGFRA
SCHEMBL13609212 0.69 AAK1 (0.38) GSK3BMAPK8MAPK9MAPK10PDGFRB
SCHEMBL13609206 0.69 CNR1 (0.35) GSK3BMAPK8MAPK9MAPK10KDM4E
SCHEMBL13609215 0.66 ADK (0.35) GSK3BMAPK8MAPK9MAPK10AAK1
SCHEMBL23239689 0.66 NUDT14 (0.45) EGFRKCNH2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GSK3B 537/4885MAPK8 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.

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