SCHEMBL4066872

SCHEMBL4066872

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.62
PIK3CB P42338 3/20 0.62
PIK3CG P48736 3/20 0.62
IKBKB O14920 2/20 0.59
CAMK2D Q13557 4/20 0.57
CDK2 P24941 2/20 0.57
KCNH2 Q12809 1/20 0.57
MAPK8 P45983 1/20 0.55
MAPK10 P53779 1/20 0.55
PLK1 P53350 1/20 0.54
JAK3 P52333 3/20 0.54
JAK2 O60674 3/20 0.54
LCK P06239 1/20 0.53
CSNK2A1 P68400 1/20 0.52
EGFR P00533 1/20 0.52
PTK2B Q14289 1/20 0.52
ATR Q13535 1/20 0.52
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL19603161 0.89 PIK3CA (0.57) PIK3CAPIK3CBPIK3CGIKBKBCAMK2D
SCHEMBL14021043 0.88 PIK3CG (0.62) PIK3CAPIK3CBPIK3CGIKBKBCAMK2D
SCHEMBL13049909 0.86 PIK3CA (0.66) PIK3CAPIK3CBPIK3CGIKBKBCAMK2D
SCHEMBL14469872 0.86 PIK3CG (0.62) PIK3CAPIK3CBPIK3CGIKBKBCAMK2D
SCHEMBL4062045 0.85 CAMK2D (0.78) PIK3CAPIK3CBPIK3CGIKBKBCAMK2D
SCHEMBL4072590 0.84 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGIKBKBCAMK2D
SCHEMBL14021024 0.84 PIK3CA (0.63) PIK3CAPIK3CBPIK3CGIKBKBCAMK2D
SCHEMBL14021250 0.84 CAMK2D (0.56) PIK3CAPIK3CBPIK3CGIKBKBCAMK2D
SCHEMBL4070306 0.84 MAPK8 (0.77) PIK3CAPIK3CBPIK3CGIKBKBCAMK2D
SCHEMBL14021028 0.83 PIK3CA (0.64) PIK3CAPIK3CBPIK3CGIKBKBCAMK2D

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 28 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-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-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-9598669-B2 Composition for collecting placental stem cells and methods of using the composition ANTHROGENESIS CORPORATION (US) 2017-03-21 US disclosed
US-20100291679-A1 COMPOSITION FOR COLLECTING AND PRESERVING PLACENTAL STEM CELLS AND METHODS OF USING THE COMPOSITION ANTHROGENESIS CORPORATION 2010-11-18 US disclosed
US-20100291679-A1 COMPOSITION FOR COLLECTING AND PRESERVING PLACENTAL STEM CELLS AND METHODS OF USING THE COMPOSITION ANTHROGENESIS CORPORATION 2010-11-18 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-2008091925-A2 TREATMENT OF AORTIC DISSECTION OR ANEURYSM COOK INCORPORATED (US) 2008-07-31 WO disclosed
US-20070270448-A1 Methods of Using and Compositions Comprising a Jnk Inhibitor for the Treatment and Management of Asbestos-Related Diseases and Disorders CELGENE CORPORATION (US) 2007-11-22 US disclosed
US-20070190042-A1 Composition for collecting and preserving placental stem cells and methods of using the composition Celularity, Inc. 2007-08-16 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040087642-A1 Methods of using and compositions comprising a JNK inhibitor for the treatment, prevention, management and/or modification of pain MAP3K1, MAP3K6, MAPKAPK2 PIK3CA 814/4885PIK3CB 890/4885PIK3CG 906/4885
US-20070190042-A1 Composition for collecting and preserving placental stem cells and methods of using the composition PGF, ALPP, CPA1 PIK3CA 1138/4885PIK3CB 842/4885PIK3CG 893/4885
US-20060030576-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE PIK3CA 26/4885PIK3CB 35/4885PIK3CG 61/4885
US-20070270448-A1 Methods of Using and Compositions Comprising a Jnk Inhibitor for the Treatment and Management of Asbestos-Related Diseases and Disorders MAP3K6, MAP3K1, MAPK1 PIK3CA 1084/4885PIK3CB 1775/4885PIK3CG 1917/4885

“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.