SCHEMBL13609264

SCHEMBL13609264

Brc1cnc2c(c1)c(I)cn2SOOc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1B Q9Y463 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ FES P07332 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ ROS1 P08922 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ PHKG2 P15735 1/20 0.33
▸ FER P16591 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MARK3 P27448 1/20 0.33
▸ FLT4 P35916 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
SCHEMBL13609205 0.82 ALDH1A1 (0.33) —
SCHEMBL13609204 0.82 MAPT (0.33) —
SCHEMBL14499706 0.81 GSK3B (0.30) —
SCHEMBL13609218 0.81 GRM5 (0.33) —
SCHEMBL13609221 0.78 MAPK8 (0.37) AURKAMAPK8CLK4
SCHEMBL23125631 0.74 HSD17B10 (0.33) DYRK1BAURKAJAK2MAP4K4IGF1R
SCHEMBL14031108 0.71 DYRK1B (0.33) DYRK1BPLK4AURKAJAK2ROCK2
SCHEMBL1043519 0.66 BRD4 (0.58) DYRK1BPLK4AURKAJAK2ROCK2
SCHEMBL12652508 0.65 HSD17B10 (0.35) DYRK1BPLK4AURKAJAK2ROCK2
SCHEMBL4405852 0.65 BRD4 (0.50) DYRK1BPLK4AURKAJAK2ROCK2

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 DYRK1B 931/4885PLK4 807/4885AURKA 1221/4885

“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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