SCHEMBL8253604

SCHEMBL8253604

C[C@@H]1CN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)C[C@H](C)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.52
CHUK O15111 4/20 0.52
PIK3CA P42336 2/20 0.52
PIK3CB P42338 2/20 0.52
PIK3CG P48736 2/20 0.52
CAMK2D Q13557 4/20 0.48
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
JAK2 O60674 3/20 0.46
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
JAK3 P52333 2/20 0.46
PLK1 P53350 1/20 0.46
HDAC3 O15379 1/20 0.46
NCOR1 O75376 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL14021276 0.90 IKBKB (0.55) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL14021271 0.90 IKBKB (0.55) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL14021274 0.90 IKBKB (0.55) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL14021549 0.85 GRM5 (0.60) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL14063893 0.85 IKBKB (0.54) IKBKBCHUKCAMK2DMAPK8MAPK10
SCHEMBL11924743 0.85 GRM5 (0.60) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL3048434 0.85 IKBKB (0.66) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL8314580 0.84 IKBKB (0.66) IKBKBCHUK
SCHEMBL14021219 0.83 PIK3CA (0.58) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL14021273 0.83 PIK3CA (0.53) IKBKBCHUKPIK3CAPIK3CBPIK3CG

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
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 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 (2 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 IKBKB 755/4885CHUK 433/4885PIK3CA 2022/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 IKBKB 755/4885CHUK 433/4885PIK3CA 2022/4885

“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.