SCHEMBL2127633

SCHEMBL2127633

Nc1ncnc2cccc(Sc3ccccc3)c12

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 16/20 0.63
EGFR P00533 1/20 0.45
TYMS P04818 1/20 0.45
PDGFRB P09619 1/20 0.45
KDR P35968 1/20 0.45
FLT3 P36888 1/20 0.45
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44

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
SCHEMBL18312222 0.78 PI4KA (0.44) DHFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL2125192 0.77 DHFR (1.00) DHFR
SCHEMBL31570707 0.73 TUBB4A (0.42) DHFREGFRTYMSPDGFRBKDR
SCHEMBL1328569 0.68 DHFR (0.47) DHFREGFRTYMSPDGFRBKDR
SCHEMBL18312022 0.68 PI4KA (0.48) EGFRPDGFRBKDRPI4KAPI4K2B
SCHEMBL2124702 0.68 PI4KA (0.48) DHFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL8664052 0.68 PI4KA (0.48) DHFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL17227469 0.68 PI4KA (0.48) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL28185600 0.68 PI4KB (0.48) EGFRKDRPI4KAPI4K2BPI4K2A
SCHEMBL4746293 0.68 MAP4K4 (0.50) EGFRKDRPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014953-B1 FORMULATIONS FOR HYDROPHOBIC PHARMACEUTICAL AGENTS SUGEN INC (US) 2012-04-25 EP disclosed
US-6911446-B2 Methods of modulating serine/threonine protein kinase function with quinazoline-based compounds SUGEN, INC. (US) 2005-06-28 US disclosed
US-6696482-B2 QUINAZOLINE, NITROTHIAZOLE AND INDOLINONE BASED HYDROPHOBIC FORMULATIONS FOR ORAL ADMINISTRATION FOR TREATING CELL PROLIFERATION DISORDER IN A MAMMAL SUGEN, INC. 2004-02-24 US disclosed
US-20010014679-A1 Methods of modulating serine/threonine protein kinase function with quinazoline-based compounds TANG PENG C (US) 2001-08-16 US disclosed
US-20010012844-A1 Formulations for hydrophobic pharmaceutical agents SHENOY NARMADA (US) 2001-08-09 US disclosed
US-6248771-B1 MIXTURE CONTAINING SURFACTANT; ANTIPROLIFERATIVE AGENTS; KINASE INHIBITOR SUGEN, INC. 2001-06-19 US disclosed
US-6204267-B1 Methods of modulating serine/thereonine protein kinase function with quinazoline-based compounds SUGEN, INC. 2001-03-20 US disclosed
EP-1014953-A2 FORMULATIONS FOR HYDROPHOBIC PHARMACEUTICAL AGENTS Sugen, Inc. (US) 2000-07-05 EP disclosed
EP-0981519-A1 METHODS OF MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION WITH QUINAZOLINE-BASED COMPOUNDS Sugen, Inc. (US) 2000-03-01 EP disclosed
WO-1998050370-A1 METHODS OF MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION WITH QUINAZOLINE-BASED COMPOUNDS SUGEN, INC. (US) 1998-11-12 WO disclosed
WO-1998038984-A2 FORMULATIONS FOR HYDROPHOBIC PHARMACEUTICAL AGENTS SUGEN, INC. (US) 1998-09-11 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-20010012844-A1 Formulations for hydrophobic pharmaceutical agents ABCG2, SLC7A5, SLCO4C1 DHFR 420/4885EGFR 3610/4885TYMS 911/4885
US-20010014679-A1 Methods of modulating serine/threonine protein kinase function with quinazoline-based compounds RAF1, STK3, MKNK1 DHFR 1842/4885EGFR 2016/4885TYMS 2085/4885

“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.