SCHEMBL11924769

SCHEMBL11924769

CC(=O)C#Cc1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAMKK2 Q96RR4 3/20 0.62
▸ IGF1R P08069 9/20 0.47
▸ AAK1 Q2M2I8 2/20 0.46
▸ RIPK1 Q13546 1/20 0.43
▸ SGK1 O00141 1/20 0.43
▸ AXL P30530 1/20 0.43

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
SCHEMBL8298163 0.92 CAMKK2 (0.64) CAMKK2IGF1RAAK1RIPK1AXL
SCHEMBL15161540 0.91 CAMKK2 (0.61) CAMKK2IGF1RAAK1RIPK1SGK1
SCHEMBL14499651 0.88 CAMKK2 (0.57) CAMKK2IGF1RAAK1
SCHEMBL4194938 0.86 CAMKK2 (0.55) CAMKK2IGF1RAAK1
SCHEMBL4199507 0.82 CAMKK2 (0.61) CAMKK2IGF1RAAK1AXL
SCHEMBL8255005 0.81 CAMKK2 (0.74) CAMKK2IGF1RAAK1SGK1AXL
SCHEMBL14524974 0.79 AXL (0.69) CAMKK2IGF1RAAK1RIPK1SGK1
SCHEMBL1487600 0.77 CAMKK2 (0.79) CAMKK2IGF1RAAK1AXL
SCHEMBL13745445 0.76 CAMKK2 (1.00) CAMKK2IGF1RSGK1AXL
SCHEMBL1487961 0.76 CAMKK2 (0.67) CAMKK2IGF1RAAK1SGK1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150313881-A1 Therapeutic Methods for Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2015-11-05 — — US disclosed
US-8501812-B2 Therapeutic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS (US) 2013-08-06 — — US disclosed
US-20120208846-A1 Therapeutic Methods For Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2012-08-16 — — 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 (3 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-20150313881-A1 Therapeutic Methods for Type I Diabetes MAPK9, IAPP, RNASE1 CAMKK2 260/4885IGF1R 107/4885AAK1 521/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 CAMKK2 260/4885IGF1R 107/4885AAK1 521/4885
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 83/4885IGF1R 1633/4885AAK1 152/4885

“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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