SCHEMBL4671104

SCHEMBL4671104

Cc1nn(-c2ccccc2)cc1-c1ccnc(Nc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.52
CDK4 P11802 3/20 0.52
CCNE1 P24864 2/20 0.51
GSK3B P49841 5/20 0.50
GRM4 Q14833 1/20 0.50
KDR P35968 1/20 0.50
PLK1 P53350 1/20 0.50
PTK2 Q05397 1/20 0.50
DYRK1A Q13627 1/20 0.49
CDK1 P06493 2/20 0.48
CCNB2 O95067 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
MAPK10 P53779 3/20 0.47
PRKCD Q05655 2/20 0.47
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47
PRKCA P17252 1/20 0.47
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL7249032 0.81 GRM4 (0.57) CDK2GRM4DYRK1ANPC1MAPT
SCHEMBL4677393 0.77 GRM4 (0.52) CDK2GRM4DYRK1ANPC1MAPT
SCHEMBL27444164 0.76 CDK2 (0.58) CDK2CDK4CCNE1GSK3BKDR
SCHEMBL4674162 0.75 GRM4 (0.50) CDK2CCNE1GRM4DYRK1AMAPK10
SCHEMBL12019062 0.72 CDK2 (0.45) CDK2GRM4DYRK1ALMNAHTT
SCHEMBL13053954 0.71 MAPK10 (0.70) GSK3BMAPK10PRKCDABL1EGFR
SCHEMBL6070014 0.71 MAPK10 (0.52) CDK2CDK4CCNE1GSK3BKDR
SCHEMBL6596500 0.70 CDK2 (0.64) CDK2CDK4CCNE1GSK3BKDR
SCHEMBL1593016 0.70 PRKCD (0.79) CDK2CDK4GSK3BPLK1CDK1
SCHEMBL27444265 0.70 IKBKB (0.59) CDK2CDK4GSK3BKDRPLK1

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 13 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-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-7897572-B1 Theraputic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2011-03-01 US disclosed
US-7897572-B1 Theraputic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2011-03-01 US disclosed
EP-1343781-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-09-03 EP disclosed
WO-2006104983-A1 THERAPEUTIC METHODS FOR TYPE I DIABETES UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2006-10-05 WO disclosed
EP-1343781-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2003-09-17 EP disclosed
US-20020111353-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2002-08-15 US disclosed
WO-2002046184-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-06-13 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-20020111353-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases MAPK1, MAPK3, MAPKAPK3 CDK2 99/4885CDK4 644/4885CCNE1 810/4885
US-20150313881-A1 Therapeutic Methods for Type I Diabetes MAPK9, IAPP, RNASE1 CDK2 1753/4885CDK4 2927/4885CCNE1 4604/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 CDK2 1753/4885CDK4 2927/4885CCNE1 4604/4885

“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.