SCHEMBL30150294

SCHEMBL30150294

Cc1cc(Nc2ncc(-c3cccnc3)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1OCCN1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 19/20 1.00
MAP3K7 O43318 17/20 1.00
KDR P35968 2/20 0.53
CDC7 O00311 1/20 0.53
PLK4 O00444 1/20 0.53
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
DCLK1 O15075 1/20 0.53
PDPK1 O15530 1/20 0.53
DAPK3 O43293 1/20 0.53
JAK2 O60674 1/20 0.53
ROCK2 O75116 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
PAK4 O96013 1/20 0.53
CHEK2 O96017 1/20 0.53
ABL1 P00519 1/20 0.53
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
PRKCG P05129 1/20 0.53

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
SCHEMBL19742917 1.00 IRAK4 (1.00) IRAK4MAP3K7KDRCDC7PLK4
SCHEMBL24800066 0.89 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL19754808 0.89 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL22452923 0.89 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL1305489 0.84 IRAK4 (0.72) IRAK4MAP3K7KDRCDC7PLK4
SCHEMBL19742913 0.79 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL22452428 0.79 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL24799802 0.79 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL30044995 0.79 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL12565141 0.77 IRAK4 (0.72) IRAK4MAP3K7KDRCDC7PLK4

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 2 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 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

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

For each of this compound's patents that has machine-readable text (2 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

“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.