SCHEMBL8254992

SCHEMBL8254992

CN(C)c1ccc(-c2cnc3[nH]cc(C#Cc4ccc(N)cc4)c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.55
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
MAPK10 P53779 1/20 0.53
NTRK1 P04629 2/20 0.48
CLK1 P49759 1/20 0.48
DYRK1A Q13627 1/20 0.48
DYRK2 Q92630 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
KIT P10721 1/20 0.47
MAP3K11 Q16584 2/20 0.46
GSK3B P49841 1/20 0.45
ADK P55263 2/20 0.41
SNCA P37840 1/20 0.41

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
SCHEMBL11924765 0.90 AAK1 (0.68) AAK1MAPK8MAPK9MAPK10NTRK1
SCHEMBL4193535 0.88 AAK1 (0.67) AAK1MAPK8MAPK9MAPK10NTRK1
SCHEMBL8298203 0.85 MAPK8 (0.66) AAK1MAPK8MAPK9MAPK10NTRK1
SCHEMBL8298162 0.82 MAPK8 (0.72) MAPK8MAPK9MAPK10NTRK1CLK1
SCHEMBL17229232 0.80 MAPK8 (0.56) AAK1MAPK8MAPK9MAPK10NTRK1
SCHEMBL8249652 0.79 MAPK8 (0.60) AAK1MAPK8MAPK9MAPK10NTRK1
SCHEMBL4200987 0.79 MAPK8 (0.60) AAK1MAPK8MAPK9MAPK10NTRK1
SCHEMBL8258606 0.79 MAPK8 (0.55) AAK1MAPK8MAPK9MAPK10NTRK1
SCHEMBL8298204 0.79 AAK1 (0.52) AAK1MAPK8MAPK9MAPK10NTRK1
SCHEMBL1487612 0.74 MAPK8 (0.67) MAPK8MAPK9MAPK10NTRK1CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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 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.