SCHEMBL4392408

SCHEMBL4392408

O=C(O)CN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.51
▸ PIK3CB P42338 2/20 0.51
▸ PIK3CG P48736 2/20 0.51
▸ CAMK2D Q13557 4/20 0.50
▸ JAK2 O60674 5/20 0.49
▸ JAK3 P52333 4/20 0.49
▸ IKBKB O14920 3/20 0.49
▸ CHUK O15111 2/20 0.49
▸ MAPK8 P45983 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ CDK1 P06493 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ IKBKG Q9Y6K9 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ NCOR1 O75376 1/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL13590765 0.91 JAK2 (0.51) PIK3CAPIK3CBPIK3CGCAMK2DJAK2
SCHEMBL14063782 0.91 JAK2 (0.52) PIK3CAPIK3CBPIK3CGCAMK2DJAK2
SCHEMBL14021327 0.90 JAK2 (0.49) PIK3CAPIK3CBPIK3CGCAMK2DJAK2
SCHEMBL14063781 0.90 SYK (0.53) PIK3CAPIK3CBPIK3CGJAK2JAK3
SCHEMBL8311018 0.89 JAK2 (0.61) PIK3CAPIK3CBPIK3CGCAMK2DJAK2
SCHEMBL14063828 0.89 CAMK2D (0.61) PIK3CAPIK3CBPIK3CGCAMK2DJAK2
SCHEMBL14063777 0.89 JAK2 (0.49) PIK3CAPIK3CBPIK3CGCAMK2DJAK2
SCHEMBL14021629 0.89 JAK2 (0.54) PIK3CAPIK3CBPIK3CGCAMK2DJAK2
SCHEMBL3049760 0.89 SYK (0.51) PIK3CAPIK3CBPIK3CGCAMK2DJAK2
SCHEMBL4063691 0.88 JAK2 (0.52) PIK3CAPIK3CBPIK3CGCAMK2DJAK2

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 15 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
US-7129242-B2 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2006-10-31 — — US disclosed
US-7122544-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2006-10-17 — — US 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
US-20030220330-A1 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2003-11-27 — — US disclosed
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2003-10-30 — — 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 (4 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 PIK3CA 2501/4885PIK3CB 2338/4885PIK3CG 3039/4885
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE PIK3CA 21/4885PIK3CB 24/4885PIK3CG 34/4885
US-20030220330-A1 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto MAPK6, MAP3K6, MAPK1 PIK3CA 145/4885PIK3CB 149/4885PIK3CG 249/4885
US-20060030576-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE PIK3CA 26/4885PIK3CB 35/4885PIK3CG 61/4885

“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.

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