SCHEMBL6409884

SCHEMBL6409884

C[S+]([O-])c1ncc2ncnc(Nc3ccccc3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.62
MKNK2 Q9HBH9 2/20 0.51
DAPK3 O43293 1/20 0.46
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
ERBB2 P04626 1/20 0.46
PIM1 P11309 1/20 0.46
PRKACA P17612 1/20 0.46
LTK P29376 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46
RPS6KA3 P51812 1/20 0.46
LIMK1 P53667 1/20 0.46
MAP2K1 Q02750 1/20 0.46
ACVR1 Q04771 1/20 0.46
TYRO3 Q06418 1/20 0.46
MAP4K2 Q12851 1/20 0.46
ROCK1 Q13464 1/20 0.46
DYRK1A Q13627 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL6993044 0.93 EGFR (0.54) EGFRMKNK2KDM4EMAPK1
SCHEMBL6993198 0.90 EGFR (0.54) EGFRMKNK2ERBB2AURKBCLK4
SCHEMBL6996289 0.90 KDR (0.53) EGFRMKNK2ERBB2HTTKDR
SCHEMBL26696575 0.88 EGFR (0.48) EGFRMKNK2MAP4K4CLK4
SCHEMBL6996349 0.87 EGFR (0.48) EGFRMAP4K4LTKMAPK8LIMK1
SCHEMBL6997797 0.87 EGFR (0.67) EGFRERBB2MAPK1HTT
SCHEMBL6996950 0.86 EGFR (0.56) EGFRMKNK2ERBB2AURKBCLK4
SCHEMBL6996923 0.83 EGFR (0.45) EGFRMKNK2MAP4K4ERBB2LTK
SCHEMBL6999413 0.83 ABCG2 (0.54) EGFRDYRK1AABCG2DYRK1B
SCHEMBL6991965 0.83 EGFR (0.48) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849734-B2 Intermediates useful for preparing 4,6-diaminopyrido[5,4-d]pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-01 US disclosed
EP-1383770-B1 METHOD FOR THE PRODUCTION OF 4,6-DIAMINOPYRIMIDO 5,4-D]PYRIMIDINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-09-22 EP disclosed
US-20040059114-A1 Intermediates useful for preparing 4,6-diaminopyrido[5,4-d]pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
US-6680384-B2 REACTING TETRACHLOROPYRIMIDO(5,4-D)PYRIMIDINE WITH AMINE COMPOUND; REDUCING TO FORM 4,6-DIAMINOPYRIMIDO(5,4-D)PYRIMIDINE COMPOUND BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-01-20 US disclosed
US-20020198380-A1 Process for preparing 4,6-diaminopyrimido[5,4-d]pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-12-26 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-20020198380-A1 Process for preparing 4,6-diaminopyrimido[5,4-d]pyrimidines DPYD, DUT, DCTD EGFR 1639/4885MKNK2 3705/4885DAPK3 1818/4885
US-20040059114-A1 Intermediates useful for preparing 4,6-diaminopyrido[5,4-d]pyrimidines DPYD, DCK, DTYMK EGFR 465/4885MKNK2 502/4885DAPK3 78/4885

“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.