SCHEMBL8249652

SCHEMBL8249652

C#Cc1c[nH]c2ncc(-c3ccc(N(C)C)cc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.60
MAPK9 P45984 1/20 0.60
MAPK10 P53779 1/20 0.60
MAP3K11 Q16584 3/20 0.50
NTRK1 P04629 2/20 0.46
GSK3B P49841 1/20 0.46
KIT P10721 1/20 0.45
CLK1 P49759 2/20 0.45
DYRK1A Q13627 2/20 0.45
DYRK2 Q92630 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
AAK1 Q2M2I8 6/20 0.44
AXL P30530 1/20 0.43
CDK8 P49336 1/20 0.43
TNIK Q9UKE5 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
SCHEMBL4200987 0.86 MAPK8 (0.60) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL8258606 0.84 MAPK8 (0.55) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL17229232 0.82 MAPK8 (0.56) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL4193535 0.81 AAK1 (0.67) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL1487612 0.81 MAPK8 (0.67) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL8321012 0.81 MAPK8 (0.63) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL13753917 0.81 MAPK8 (0.63) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL11924765 0.80 AAK1 (0.68) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL8298203 0.80 MAPK8 (0.66) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL8254992 0.79 AAK1 (0.55) MAPK8MAPK9MAPK10MAP3K11NTRK1

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 9 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
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
WO-2004101565-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-11-25 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 MAPK8 25/4885MAPK9 1/4885MAPK10 12/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 MAPK8 25/4885MAPK9 1/4885MAPK10 12/4885
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 MAPK8 111/4885MAPK9 78/4885MAPK10 82/4885

“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.