SCHEMBL13609196

SCHEMBL13609196

C[Si](C)(C)C#Cc1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.36
▸ CAMKK2 Q96RR4 3/20 0.35
▸ BRD4 O60885 3/20 0.32
▸ MAOB P27338 1/20 0.31

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
SCHEMBL13609304 0.87 CAMKK2 (0.37) FYNCAMKK2BRD4
SCHEMBL13609210 0.86 CAMKK2 (0.40) FYNCAMKK2BRD4MAOB
SCHEMBL13745780 0.83 CAMKK2 (0.41) FYNCAMKK2BRD4MAOB
SCHEMBL13745928 0.82 CAMKK2 (0.41) FYNCAMKK2BRD4MAOB
SCHEMBL13746053 0.82 FYN (0.44) FYNCAMKK2BRD4MAOB
SCHEMBL13746255 0.82 FYN (0.38) FYNCAMKK2BRD4MAOB
SCHEMBL13745719 0.81 CAMKK2 (0.40) FYNCAMKK2BRD4MAOB
SCHEMBL13746204 0.80 KDR (0.41) FYNCAMKK2BRD4MAOB
SCHEMBL13609209 0.80 MAPK8 (0.32) —
SCHEMBL13746535 0.80 CAMKK2 (0.41) FYNCAMKK2BRD4

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 FYN 604/4885CAMKK2 83/4885BRD4 469/4885

“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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