SCHEMBL19742897

SCHEMBL19742897

NC(=O)[C@@H]1[C@H](Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2Br)[C@H]2C=C[C@@H]1C2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.76
MAP3K7 O43318 7/20 0.76
KDR P35968 10/20 0.63
AURKB Q96GD4 9/20 0.63
FLT3 P36888 3/20 0.63
AURKA O14965 2/20 0.63
LCK P06239 2/20 0.63
PDGFRA P16234 2/20 0.63
SYK P43405 2/20 0.63
FGFR2 P21802 1/20 0.63
WEE1 P30291 1/20 0.63
GSK3B P49841 1/20 0.63
PRKCE Q02156 1/20 0.63
BRD4 O60885 2/20 0.54
JAK1 P23458 2/20 0.54
HDAC1 Q13547 2/20 0.54
JAK2 O60674 2/20 0.54
RET P07949 2/20 0.54
TYK2 P29597 2/20 0.54
JAK3 P52333 2/20 0.54

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
SCHEMBL19754809 1.00 IRAK4 (0.76) IRAK4MAP3K7KDRAURKBFLT3
SCHEMBL22452923 0.86 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL19754808 0.86 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL24800066 0.86 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL24799810 0.86 IRAK4 (0.57) IRAK4MAP3K7KDRAURKBFLT3
SCHEMBL352766 0.84 IRAK4 (0.71) IRAK4MAP3K7KDRAURKBFLT3
SCHEMBL10171510 0.84 IRAK4 (0.70) IRAK4MAP3K7KDRAURKBFLT3
SCHEMBL3779524 0.83 AURKB (0.74) IRAK4MAP3K7KDRAURKBFLT3
SCHEMBL3772251 0.83 AURKB (0.74) IRAK4MAP3K7KDRAURKBFLT3
SCHEMBL352222 0.83 IRAK4 (0.79) IRAK4MAP3K7

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-20230095835-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2023-03-30 US claimed
US-10710983-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US claimed
US-20170369476-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2017-12-28 US claimed
US-20230095835-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2023-03-30 US disclosed
EP-3475263-B1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-28 EP disclosed
EP-3475263-B1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-28 EP disclosed
US-11524955-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-12-13 US disclosed
US-11524955-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-12-13 US disclosed
US-20200299276-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2020-09-24 US disclosed
US-20200299276-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2020-09-24 US disclosed
US-10710983-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-20170369476-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2017-12-28 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-20230095835-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK4, IRAK1, IRAK3 IRAK4 1/4885MAP3K7 30/4885KDR 2620/4885
US-11524955-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds IRAK4, IRAK1, IRAK3 IRAK4 1/4885MAP3K7 30/4885KDR 2620/4885
US-20170369476-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK4, IRAK1, IRAK2 IRAK4 1/4885MAP3K7 33/4885KDR 2398/4885
US-10710983-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds IRAK4, IRAK1, IRAK2 IRAK4 1/4885MAP3K7 33/4885KDR 2398/4885
US-20200299276-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK4, IRAK1, IRAK3 IRAK4 1/4885MAP3K7 29/4885KDR 2643/4885

“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.