SCHEMBL2852167

SCHEMBL2852167

Nc1ccc(-c2ccnc(Nc3ccc(N4CCC(O)C4)cc3)n2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.56
JAK3 P52333 4/20 0.56
PIK3CA P42336 3/20 0.47
PIK3CB P42338 3/20 0.47
PIK3CG P48736 3/20 0.47
PLK1 P53350 2/20 0.46
HDAC1 Q13547 2/20 0.45
JAK1 P23458 1/20 0.45
STAT6 P42226 1/20 0.44

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
SCHEMBL30051963 1.00 JAK2 (0.56) JAK2JAK3PIK3CAPIK3CBPIK3CG
SCHEMBL15108219 0.85 JAK2 (0.61) JAK2JAK3HDAC1JAK1
SCHEMBL30053338 0.77 ZAP70 (0.56) JAK2JAK3HDAC1
SCHEMBL2877271 0.77 ZAP70 (0.56) JAK2JAK3HDAC1
SCHEMBL21836042 0.76 LMNA (0.49)
SCHEMBL3957543 0.72 JAK2 (1.00) JAK2JAK3HDAC1JAK1
SCHEMBL8050839 0.72 MAPK10 (0.58) JAK2JAK3HDAC1
SCHEMBL28983303 0.70 ABL1 (0.71) PIK3CAPIK3CBPIK3CGPLK1HDAC1
SCHEMBL12801273 0.70 JAK2 (0.78) JAK2JAK3HDAC1JAK1
SCHEMBL4382459 0.69 JAK2 (0.59) JAK2JAK3HDAC1JAK1

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
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof SIERRA ONCOLOGY, INC. (US) 2022-12-08 US claimed
EP-3023422-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF YM BioSciences Australia Pty Ltd (AU) 2016-05-25 EP claimed
US-20140011803-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2014-01-09 US claimed
US-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 US claimed
EP-2152701-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF Cytopia Research Pty Ltd (AU) 2010-02-17 EP claimed
WO-2008109943-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD (AU) 2008-09-18 WO claimed
US-20210309615-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2021-10-07 US disclosed
EP-3023422-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF YM BioSciences Australia Pty Ltd (AU) 2016-05-25 EP disclosed
US-9233934-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (US) 2016-01-12 US disclosed
US-20140005180-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2014-01-02 US disclosed
US-8486941-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-07-16 US disclosed
US-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 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-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885PIK3CA 120/4885
US-20140011803-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885PIK3CA 120/4885
US-20210309615-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885PIK3CA 120/4885
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885PIK3CA 120/4885
US-20140005180-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885PIK3CA 120/4885

“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.