SCHEMBL8256245

SCHEMBL8256245

N#Cc1c[nH]c2ncc(-c3ccoc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.57
CHEK1 O14757 1/20 0.57
CCNT1 O60563 1/20 0.54
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
CDK9 P50750 1/20 0.54
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
LRRK2 Q5S007 2/20 0.46
AAK1 Q2M2I8 2/20 0.43
NTRK1 P04629 2/20 0.40
AXL P30530 1/20 0.40
TNIK Q9UKE5 1/20 0.40
PIK3CA P42336 1/20 0.40
NEK1 Q96PY6 1/20 0.40
MAP3K12 Q12852 3/20 0.40
KIT P10721 1/20 0.40
GSK3B P49841 1/20 0.40
IGF1R P08069 1/20 0.39
CLK1 P49759 1/20 0.39

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
SCHEMBL12764150 0.86 CDK8 (0.57) CDK8CHEK1CCNT1CCNA2CDK2
SCHEMBL8320115 0.80 CDK8 (0.84) CDK8CHEK1CCNT1CCNA2CDK2
SCHEMBL8324225 0.79 CDK8 (0.69) CDK8CHEK1CCNT1CCNA2CDK2
SCHEMBL21069142 0.78 PRMT5 (0.54) CDK8CCNT1CCNA2CDK2CDK9
SCHEMBL4743347 0.77 PRMT5 (0.56) CDK8PRMT5WDR77LRRK2AAK1
SCHEMBL4746489 0.76 MAPK8 (0.51) CDK8PRMT5WDR77LRRK2AAK1
SCHEMBL4746507 0.76 DYRK1A (0.56) PRMT5WDR77LRRK2AAK1NEK1
SCHEMBL4200987 0.76 MAPK8 (0.60) CDK8PRMT5WDR77LRRK2AAK1
SCHEMBL8258473 0.76 CDK8 (0.57) CDK8CCNT1CCNA2CDK2CDK9
SCHEMBL8318457 0.75 CDK8 (0.63) CDK8CHEK1CCNT1CCNA2CDK2

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 11 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-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-20120208846-A1 Therapeutic Methods For Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2012-08-16 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-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 CDK8 1731/4885CHEK1 3913/4885CCNT1 3711/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 CDK8 1731/4885CHEK1 3913/4885CCNT1 3711/4885
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 CDK8 286/4885CHEK1 396/4885CCNT1 1081/4885

“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.