SCHEMBL13609249

SCHEMBL13609249

COC(=O)C#Cc1cn(C)c2ncc(-c3ccccc3Oc3ccccc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAMKK2 Q96RR4 3/20 0.45
▸ BRD4 O60885 12/20 0.42
▸ FYN P06241 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ IGF1R P08069 1/20 0.35

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
SCHEMBL13609210 0.84 CAMKK2 (0.40) CAMKK2BRD4FYNFFAR4IGF1R
SCHEMBL13609200 0.82 BRD4 (0.44) CAMKK2BRD4FYN
SCHEMBL15161540 0.81 CAMKK2 (0.61) CAMKK2AAK1IGF1R
SCHEMBL13609250 0.76 BRD4 (0.47) CAMKK2BRD4FYNIGF1R
SCHEMBL11924769 0.72 CAMKK2 (0.62) CAMKK2AAK1IGF1R
SCHEMBL8298163 0.71 CAMKK2 (0.64) CAMKK2AAK1IGF1R
SCHEMBL14499651 0.69 CAMKK2 (0.57) CAMKK2AAK1IGF1R
SCHEMBL13609196 0.67 FYN (0.36) CAMKK2BRD4FYN
SCHEMBL4194938 0.67 CAMKK2 (0.55) CAMKK2AAK1IGF1R
SCHEMBL14524974 0.67 AXL (0.69) CAMKK2AAK1IGF1R

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

“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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