SCHEMBL3048434

SCHEMBL3048434

O=C(c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1)N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.66
CHUK O15111 9/20 0.66
MKNK1 Q9BUB5 3/20 0.55
PIK3CA P42336 2/20 0.55
PIK3CB P42338 2/20 0.55
PIK3CG P48736 2/20 0.55
MKNK2 Q9HBH9 4/20 0.53
CCNC P24863 2/20 0.52
CDK8 P49336 2/20 0.52
DYRK2 Q92630 1/20 0.52

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
SCHEMBL14021219 0.90 PIK3CA (0.58) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL14021011 0.90 MKNK2 (0.65) IKBKBCHUKMKNK1PIK3CAPIK3CB
SCHEMBL14021190 0.89 MTOR (0.60) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL11924733 0.89 MTOR (0.60) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL14063828 0.88 CAMK2D (0.61) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL7020880 0.88 PIK3CA (0.56) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL14021274 0.88 IKBKB (0.55) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL14021276 0.88 IKBKB (0.55) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL14021271 0.88 IKBKB (0.55) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL4065429 0.88 IKBKB (0.54) 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327788-A1 COMPOSITION FOR COLLECTING AND PRESERVING PLACENTAL STEM CELLS AND METHODS OF USING THE COMPOSITION ANTHROGENESIS CORPORATION (US) 2017-11-16 US disclosed
US-9725694-B2 Composition for collecting and preserving placental stem cells and methods of using the composition ANTHROGENESIS CORPORATION (US) 2017-08-08 US disclosed
US-9598669-B2 Composition for collecting placental stem cells and methods of using the composition ANTHROGENESIS CORPORATION (US) 2017-03-21 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
EP-1931322-B1 IKK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MERCK SERONO SA (CH) 2012-08-15 EP disclosed
EP-2266561-A2 IKK Inhibitors for the Treatment of Endometriosis Merck Serono S.A. (CH) 2010-12-29 EP disclosed
US-20100069387-A1 IKK Inhibitors for the Treatment of Endometriosis MERCK SERONO SA (CH) 2010-03-18 US disclosed
EP-1349841-B1 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-12-02 EP disclosed
EP-1349841-B1 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-12-02 EP 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-20040087642-A1 Methods of using and compositions comprising a JNK inhibitor for the treatment, prevention, management and/or modification of pain CELGENE CORPORATION 2004-05-06 US disclosed
US-20040087642-A1 Methods of using and compositions comprising a JNK inhibitor for the treatment, prevention, management and/or modification of pain CELGENE CORPORATION 2004-05-06 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
EP-1349841-A2 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-08 EP disclosed
EP-1349840-A2 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-08 EP disclosed
WO-2002046170-A2 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2002-06-13 WO disclosed
WO-2002046171-A2 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (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 (6 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 IKBKB 91/4885CHUK 69/4885MKNK1 144/4885
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE IKBKB 2/4885CHUK 4/4885MKNK1 241/4885
US-20040087642-A1 Methods of using and compositions comprising a JNK inhibitor for the treatment, prevention, management and/or modification of pain MAP3K1, MAP3K6, MAPKAPK2 IKBKB 110/4885CHUK 58/4885MKNK1 97/4885
US-20100069387-A1 IKK Inhibitors for the Treatment of Endometriosis NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 5/4885MKNK1 62/4885
US-20150313881-A1 Therapeutic Methods for Type I Diabetes MAPK9, IAPP, RNASE1 IKBKB 755/4885CHUK 433/4885MKNK1 173/4885
US-20030220330-A1 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto MAPK6, MAP3K6, MAPK1 IKBKB 95/4885CHUK 38/4885MKNK1 83/4885

“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.