SCHEMBL2126241

SCHEMBL2126241

CN(C)CCCOc1cccc2nc(N)nc(N)c12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 11/20 0.58
CSNK1A1 P48729 1/20 0.56
CSNK1D P48730 1/20 0.56
PRKCD Q05655 1/20 0.56
PAK1 Q13153 1/20 0.56
CAMK2B Q13554 1/20 0.56
CAMK2G Q13555 1/20 0.56
CAMK2D Q13557 1/20 0.56
TAOK1 Q7L7X3 1/20 0.56
KCNH2 Q12809 1/20 0.55
DHFR P00374 10/20 0.54
HTR1B P28222 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
SCHEMBL15284417 0.85 CSNK1A1 (0.74) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL1154250 0.82 CSNK1A1 (0.67) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL1154579 0.82 DCPS (0.68) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL16863977 0.80 DCPS (0.63) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL8294968 0.80 DCPS (0.69) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL15283825 0.80 DCPS (0.62) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL1154216 0.77 DCPS (0.75) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL1154255 0.76 DCPS (0.59) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL15295903 0.76 KCNH2 (0.67) DCPSCSNK1A1CSNK1DPRKCDPAK1
SCHEMBL1154426 0.75 DCPS (0.61) DCPSCSNK1A1CSNK1DPRKCDPAK1

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 DCPS 4329/4885CSNK1A1 1868/4885CSNK1D 1722/4885
US-20010014679-A1 Methods of modulating serine/threonine protein kinase function with quinazoline-based compounds RAF1, STK3, MKNK1 DCPS 3645/4885CSNK1A1 186/4885CSNK1D 468/4885

“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.