SCHEMBL6417047

SCHEMBL6417047

CS(=O)(=O)c1ncc2ncnc(Nc3ccccc3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.66
MKNK2 Q9HBH9 2/20 0.51
CLK4 Q9HAZ1 2/20 0.46
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

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
SCHEMBL6998196 0.93 EGFR (0.57) EGFRMKNK2CLK4MEN1USP2
SCHEMBL6989068 0.90 EGFR (0.57) EGFRMKNK2CLK4ERBB2AURKB
SCHEMBL6990938 0.90 EGFR (0.54) EGFRMKNK2ERBB2HTT
SCHEMBL30556170 0.88 EGFR (0.51) EGFRMKNK2MAP4K4
SCHEMBL6996883 0.87 EGFR (0.51) EGFRCLK4MAP4K4LTKMAPK8
SCHEMBL6993872 0.87 EGFR (0.69) EGFRHIF1AMAPK1HTT
SCHEMBL6993612 0.86 EGFR (0.56) EGFRMKNK2CLK4ERBB2AURKB
SCHEMBL8320084 0.86 EGFR (0.70) EGFRERBB2MEN1KMT2A
SCHEMBL8315330 0.86 EGFR (0.57) EGFRABL1ERBB2MAPK14MEN1
SCHEMBL8314880 0.86 EGFR (0.53) EGFRABL1AURKBABCG2

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 9 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
EP-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 EP disclosed
US-5707989-A ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES DR. KARL THOMAE GMBH (DE) 1998-01-13 US disclosed
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 EP disclosed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 WO 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 3705/4885CLK4 3782/4885
US-20040059114-A1 Intermediates useful for preparing 4,6-diaminopyrido[5,4-d]pyrimidines DPYD, DCK, DTYMK EGFR 465/4885MKNK2 502/4885CLK4 1412/4885

“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.