SCHEMBL2125407

SCHEMBL2125407

Nc1nc(N)c2c(Oc3ccc(O)cc3)cccc2n1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 11/20 0.59
KCNH2 Q12809 1/20 0.55
DHFR P00374 11/20 0.55

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
SCHEMBL15284246 0.88 DCPS (0.62) DCPSKCNH2DHFR
SCHEMBL6484468 0.87 DCPS (0.60) DCPSKCNH2DHFR
SCHEMBL6485667 0.86 DCPS (0.64) DCPSKCNH2DHFR
SCHEMBL15284402 0.85 DCPS (0.59) DCPSKCNH2DHFR
SCHEMBL2128429 0.85 DCPS (0.72) DCPSKCNH2DHFR
SCHEMBL6477195 0.85 DCPS (0.63) DCPSKCNH2DHFR
SCHEMBL2130478 0.82 KCNH2 (0.62) DCPSKCNH2DHFR
SCHEMBL2125359 0.81 DCPS (0.76) DCPSKCNH2DHFR
SCHEMBL2125597 0.79 RET (0.44) DCPSDHFR
SCHEMBL2125692 0.78 DCPS (0.69) DCPSKCNH2DHFR

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 13 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-1019410-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2000-07-19 EP 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
WO-1997019084-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 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 DCPS 4329/4885KCNH2 815/4885DHFR 420/4885
US-20010014679-A1 Methods of modulating serine/threonine protein kinase function with quinazoline-based compounds RAF1, STK3, MKNK1 DCPS 3645/4885KCNH2 4444/4885DHFR 1842/4885

“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.