SCHEMBL4834740

SCHEMBL4834740

NC(=O)c1ccc(Nc2nccc(-c3ccc(S(=O)(=O)c4ccccn4)cc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.69
MAPK10 P53779 2/20 0.69
IKBKB O14920 9/20 0.63
CHUK O15111 3/20 0.63
CAMKK2 Q96RR4 4/20 0.59
GSK3B P49841 3/20 0.59
PIK3CG P48736 1/20 0.59
JAK2 O60674 2/20 0.57
CAMK2D Q13557 2/20 0.56
DKK1 O94907 1/20 0.52
JAK3 P52333 1/20 0.50

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
SCHEMBL14021520 0.91 IKBKB (0.55) MAPK8MAPK10IKBKBCHUKGSK3B
SCHEMBL11924742 0.90 IKBKB (0.63) MAPK8MAPK10IKBKBCHUKGSK3B
SCHEMBL8312592 0.89 MAPK8 (0.78) MAPK8MAPK10IKBKBCHUKCAMKK2
SCHEMBL4073555 0.85 MAPK8 (0.67) MAPK8MAPK10IKBKBCHUKCAMKK2
SCHEMBL4064743 0.84 IKBKB (0.70) MAPK8MAPK10IKBKBCHUKCAMKK2
SCHEMBL4073695 0.84 MAPK8 (0.65) MAPK8MAPK10IKBKBCHUKCAMKK2
SCHEMBL8246523 0.82 MAPK8 (1.00) MAPK8MAPK10IKBKBCHUKCAMKK2
SCHEMBL8866192 0.80 KDM4E (0.61)
SCHEMBL13911505 0.79 IKBKB (0.64) MAPK8MAPK10IKBKBCHUKCAMKK2
SCHEMBL4800404 0.79 MAPK8 (0.83) MAPK8MAPK10IKBKBCHUKCAMKK2

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-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-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
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 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-20150313881-A1 Therapeutic Methods for Type I Diabetes MAPK9, IAPP, RNASE1 MAPK8 25/4885MAPK10 12/4885IKBKB 755/4885

“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.