SCHEMBL4558989

SCHEMBL4558989

COC(C)c1nc(N)nc(N)c1-c1ccc2cn[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.44
PIK3CA P42336 3/20 0.44
PIK3CB P42338 3/20 0.44
PIK3CG P48736 3/20 0.44
ABL1 P00519 2/20 0.44
SRC P12931 2/20 0.44
KDR P35968 2/20 0.44
EGFR P00533 1/20 0.44
HCK P08631 1/20 0.44
MTOR P42345 1/20 0.44
EPHB4 P54760 1/20 0.44
PRKDC P78527 1/20 0.44
USP7 Q93009 2/20 0.43
FGFR1 P11362 12/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4558201 0.91 KDR (0.44) PIK3CDPIK3CAPIK3CBPIK3CGABL1
SCHEMBL4557372 0.85 USP7 (0.45) PIK3CDPIK3CAPIK3CBPIK3CGABL1
SCHEMBL4558987 0.81 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGABL1
SCHEMBL4557497 0.76 USP7 (0.45) PIK3CDPIK3CAPIK3CBPIK3CGABL1
SCHEMBL4558988 0.75 USP7 (0.47) USP7FGFR1KDM4EMEN1MAPT
SCHEMBL4557371 0.74 DHFR (0.45) USP7FGFR2
SCHEMBL4046369 0.73 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGABL1
SCHEMBL4558196 0.71 KDR (0.47) PIK3CDPIK3CAPIK3CBPIK3CGABL1
SCHEMBL4557369 0.71 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGABL1
SCHEMBL30818188 0.69 KDM4E (0.58) PIK3CDPIK3CBABL1SRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259826-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2019-04-16 US disclosed
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2018-03-15 US disclosed
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-7582648-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2008-12-18 US disclosed
US-7452879-B2 N4-(1-tert-Butoxycarbonylazetidin-3-yl)-5-fluoro-N2-(4-morpholinophenyl)-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for IgE (\"Fc epsilon RI\") and IgG (\"Fc gamma RI\") antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2008-11-18 US disclosed
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2007-07-19 US disclosed
US-20050234049-A1 Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine MIDCAP FINANCIAL TRUST 2005-10-20 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 (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-10259826-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TPMT, ADAR PIK3CD 4285/4885PIK3CA 3886/4885PIK3CB 3691/4885
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR PIK3CD 4285/4885PIK3CA 3886/4885PIK3CB 3691/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR PIK3CD 4285/4885PIK3CA 3886/4885PIK3CB 3691/4885
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT PIK3CD 4371/4885PIK3CA 3732/4885PIK3CB 3692/4885
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT PIK3CD 4371/4885PIK3CA 3732/4885PIK3CB 3692/4885
US-20050234049-A1 Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine SSB, HRH4, TLR7 PIK3CD 4520/4885PIK3CA 3728/4885PIK3CB 3855/4885

“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.