SCHEMBL11929261

SCHEMBL11929261

CCCNC(=O)c1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAMKK2 Q96RR4 5/20 0.60
▸ AXL P30530 2/20 0.48
▸ IGF1R P08069 6/20 0.46
▸ AAK1 Q2M2I8 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ SGK1 O00141 1/20 0.43
▸ RIPK1 Q13546 1/20 0.42

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
SCHEMBL13746102 0.87 CAMKK2 (0.75) CAMKK2AXLIGF1RSGK1
SCHEMBL13745458 0.86 CAMKK2 (0.65) CAMKK2AXLIGF1RRIPK1
SCHEMBL8255005 0.86 CAMKK2 (0.74) CAMKK2AXLIGF1RAAK1SGK1
SCHEMBL8298202 0.85 CAMKK2 (0.58) CAMKK2AXLIGF1RSGK1RIPK1
SCHEMBL13745513 0.84 CAMKK2 (0.60) CAMKK2IGF1RSGK1RIPK1
SCHEMBL14524974 0.84 AXL (0.69) CAMKK2AXLIGF1RAAK1SGK1
SCHEMBL4194938 0.83 CAMKK2 (0.55) CAMKK2IGF1RAAK1
SCHEMBL13746381 0.79 CAMKK2 (0.77) CAMKK2AXLIGF1RSGK1
SCHEMBL13746105 0.79 CAMKK2 (0.73) CAMKK2AXLIGF1RSGK1
SCHEMBL13745467 0.78 CAMKK2 (0.64) CAMKK2AXLIGF1RRIPK1

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-20120208846-A1 Therapeutic Methods For Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2012-08-16 — — US disclosed
US-7897572-B1 Theraputic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2011-03-01 — — US disclosed
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 (2 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-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 CAMKK2 260/4885AXL 2467/4885IGF1R 107/4885
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 83/4885AXL 2132/4885IGF1R 1633/4885

“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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