SCHEMBL4559248

SCHEMBL4559248

Nc1nc(N)c(N2CCOCC2)c(-c2ccc3[nH]cnc3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.43
PDPK1 O15530 1/20 0.42
MTOR P42345 2/20 0.41
GRIA1 P42261 1/20 0.39
MAP3K11 Q16584 1/20 0.38
AKT1 P31749 1/20 0.38
PIK3CD O00329 3/20 0.37
PIK3CB P42338 2/20 0.37
F2 P00734 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PIK3CG P48736 2/20 0.36
DHFR P00374 1/20 0.36
QPCT Q16769 1/20 0.35
ATR Q13535 1/20 0.35
SYK P43405 1/20 0.35
NAMPT P43490 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL4557224 0.83 JAK2 (0.43) PIK3CAPDPK1MTORAKT1MAPT
SCHEMBL4559254 0.82 PRKDC (0.42) PIK3CAPDPK1MTORGRIA1MAP3K11
SCHEMBL4557226 0.75 JAK2 (0.42) PIK3CAPDPK1MTORMAPT
SCHEMBL1310002 0.75 PIK3CA (0.50) PIK3CAPDPK1MTORGRIA1MAP3K11
SCHEMBL1310232 0.74 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4559256 0.73 PIK3CA (0.49) PIK3CAPDPK1MTORGRIA1MAP3K11
SCHEMBL1311995 0.71 PIK3CA (0.47) PIK3CAPDPK1MTORMAP3K11AKT1
SCHEMBL23122757 0.71 PIK3CD (0.66) PIK3CAMAP3K11PIK3CDPIK3CBF2
SCHEMBL29745276 0.71 PIK3CD (0.66) PIK3CAMAP3K11PIK3CDPIK3CBF2
SCHEMBL1656949 0.70 HTR2C (0.47) PIK3CAMTORGRIA1MAP3K11CYP1A2

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 PIK3CA 3886/4885PDPK1 2431/4885MTOR 2694/4885
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR PIK3CA 3886/4885PDPK1 2431/4885MTOR 2694/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR PIK3CA 3886/4885PDPK1 2431/4885MTOR 2694/4885
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT PIK3CA 3732/4885PDPK1 3010/4885MTOR 3056/4885
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT PIK3CA 3732/4885PDPK1 3010/4885MTOR 3056/4885
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 PIK3CA 3728/4885PDPK1 3769/4885MTOR 3187/4885

“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.