SCHEMBL6990190

SCHEMBL6990190

CS(=O)(=O)c1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.59
ERBB2 P04626 9/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
GRM1 Q13255 1/20 0.54
MAPT P10636 1/20 0.52
FBP1 P09467 2/20 0.50
ERBB4 Q15303 2/20 0.50
AURKA O14965 1/20 0.50
INSR P06213 1/20 0.50
PDGFRB P09619 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
CLK1 P49759 1/20 0.50
EPHB4 P54760 1/20 0.50
TEK Q02763 1/20 0.50
AURKB Q96GD4 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6997375 0.90 EGFR (0.47) EGFRERBB2HPGDHTTGRM1
SCHEMBL8317145 0.90 EGFR (0.49) EGFRERBB2HPGDHTTGRM1
SCHEMBL8484846 0.86 EGFR (0.47) EGFRERBB2HPGDHTTGRM1
SCHEMBL8315330 0.84 EGFR (0.57) EGFRERBB2HPGDMAPTFBP1
SCHEMBL6992072 0.83 EGFR (0.44) EGFRERBB2HPGDHTTGRM1
SCHEMBL8319146 0.83 EGFR (0.61) EGFRERBB2HPGDHTTGRM1
SCHEMBL8314880 0.82 EGFR (0.53) EGFRFBP1AURKB
SCHEMBL8318233 0.81 EGFR (0.47) EGFRERBB2HPGDHTTMAPT
SCHEMBL7090432 0.81 EGFR (0.56) EGFRERBB2ERBB4
SCHEMBL8484377 0.81 EGFR (0.64) EGFRERBB2HPGDHTTGRM1

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
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed
US-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 US disclosed
US-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 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
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP disclosed
EP-0885227-A1 PYRIMIDO 5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997032882-A1 PYRIMIDO[5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 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 (1 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-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, CYP11B1 EGFR 1041/4885ERBB2 2419/4885HPGD 173/4885

“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.