SCHEMBL4800404

SCHEMBL4800404

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

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.83
MAPK10 P53779 1/20 0.83
CAMK2D Q13557 5/20 0.78
CAMKK2 Q96RR4 7/20 0.69
PIK3CG P48736 4/20 0.69
GSK3B P49841 3/20 0.69
JAK2 O60674 2/20 0.67
IKBKB O14920 3/20 0.64
CHUK O15111 2/20 0.61
AURKA O14965 2/20 0.60
JAK3 P52333 1/20 0.58
AURKB Q96GD4 1/20 0.56
IKBKG Q9Y6K9 1/20 0.55

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
SCHEMBL8246523 0.91 MAPK8 (1.00) MAPK8MAPK10CAMK2DCAMKK2PIK3CG
SCHEMBL13911478 0.88 MAPK8 (0.77) MAPK8MAPK10CAMK2DCAMKK2PIK3CG
SCHEMBL13911421 0.88 MAPK8 (0.77) MAPK8MAPK10CAMK2DCAMKK2PIK3CG
SCHEMBL4070306 0.88 MAPK8 (0.77) MAPK8MAPK10CAMK2DCAMKK2PIK3CG
SCHEMBL8312461 0.88 MAPK8 (0.77) MAPK8MAPK10CAMK2DCAMKK2PIK3CG
SCHEMBL4903457 0.88 MAPK8 (0.81) MAPK8MAPK10CAMK2DCAMKK2PIK3CG
SCHEMBL4062045 0.87 CAMK2D (0.78) MAPK8MAPK10CAMK2DCAMKK2PIK3CG
SCHEMBL7464657 0.86 CAMK2D (0.90) MAPK8MAPK10CAMK2DCAMKK2PIK3CG
SCHEMBL14020959 0.86 MAPK8 (0.80) MAPK8MAPK10CAMK2DCAMKK2PIK3CG
SCHEMBL14020940 0.85 MAPK8 (0.72) MAPK8MAPK10CAMK2DCAMKK2PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349841-B1 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-12-02 EP disclosed
EP-1349840-B1 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-03-11 EP 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
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
CN-1791410-A Methods for treating or preventing an inflammatory or metabolic condition by inhibiting JNK SIGNAL PHARM LLC (US) 2006-06-21 CN disclosed
US-20060030576-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2006-02-09 US 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
US-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-06-03 US 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-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK MAPK6, MAPKAPK2, DUSP6 MAPK8 18/4885MAPK10 62/4885CAMK2D 351/4885
US-20060030576-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE MAPK8 168/4885MAPK10 747/4885CAMK2D 412/4885

“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.