SCHEMBL8249656

SCHEMBL8249656

CN(C)c1ccc(-c2cnc3[nH]cc(C#Cc4cnn(S(=O)(=O)c5ccccc5)c4)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.48
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
PDPK1 O15530 1/20 0.40
GSK3B P49841 1/20 0.38
CAMKK2 Q96RR4 3/20 0.37
SGK1 O00141 2/20 0.37
AXL P30530 4/20 0.36
TNIK Q9UKE5 2/20 0.36
CDK8 P49336 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL8321704 0.84 MAPK8 (0.55) MAPK8MAPK9MAPK10PDPK1CAMKK2
SCHEMBL4193535 0.82 AAK1 (0.67) AAK1MAPK8MAPK9MAPK10GSK3B
SCHEMBL13746114 0.77 TNIK (0.52) MAPK8MAPK9MAPK10SGK1TNIK
SCHEMBL8318680 0.76 TNIK (0.50) MAPK8MAPK9MAPK10CAMKK2SGK1
SCHEMBL13745419 0.76 MAPK8 (0.54) MAPK8MAPK9MAPK10PDPK1CAMKK2
SCHEMBL8298203 0.75 MAPK8 (0.66) AAK1MAPK8MAPK9MAPK10GSK3B
SCHEMBL11924765 0.75 AAK1 (0.68) AAK1MAPK8MAPK9MAPK10GSK3B
SCHEMBL8254992 0.74 AAK1 (0.55) AAK1MAPK8MAPK9MAPK10GSK3B
SCHEMBL8319995 0.73 MAPK8 (0.49) MAPK8MAPK9MAPK10CAMKK2SGK1
SCHEMBL8320848 0.73 MAPK8 (0.53) MAPK8MAPK9MAPK10CAMKK2SGK1

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 7 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-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
WO-2006104983-A1 THERAPEUTIC METHODS FOR TYPE I DIABETES UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2006-10-05 WO 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 AAK1 521/4885MAPK8 25/4885MAPK9 1/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 AAK1 521/4885MAPK8 25/4885MAPK9 1/4885
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 AAK1 152/4885MAPK8 111/4885MAPK9 78/4885

“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.