SCHEMBL2125491

SCHEMBL2125491

Nc1nc(-c2ccccc2)nc2cccc(Oc3ccccc3)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.51
CYP1A2 P05177 6/20 0.46
CYP1A1 P04798 5/20 0.46
CYP1B1 Q16678 5/20 0.46
IKBKB O14920 1/20 0.46
BRAF P15056 1/20 0.46
DCPS Q96C86 2/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DHPS P49366 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DHFR P00374 1/20 0.42
KCNH2 Q12809 1/20 0.41
DPP4 P27487 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6485667 0.83 DCPS (0.64) DCPSDHFRKCNH2
SCHEMBL15293079 0.81 LMNA (0.50) CYP1A2DCPSALDH1A1CYP2C9HPGD
SCHEMBL6017748 0.78 DHFR (0.46) CYP1A2CYP1A1CYP1B1DCPSHPGD
SCHEMBL31061268 0.74 CYP1A1 (0.73) ABCG2CYP1A2CYP1A1CYP1B1DCPS
SCHEMBL4746293 0.74 MAP4K4 (0.50) IKBKBDCPS
SCHEMBL14529190 0.73 CYP1A2 (0.56) ABCG2CYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL6072033 0.73 CDK5 (0.49) ALDH1A1HPGDSMN1; SMN2MAPTNPSR1
SCHEMBL15284246 0.73 DCPS (0.62) DCPSDHFRKCNH2
SCHEMBL20483820 0.72 ELANE (0.49) CYP1A2CYP1A1CYP1B1DHFRDPP4
SCHEMBL6484468 0.72 DCPS (0.60) DCPSDHFRKCNH2

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 ABCG2 1/4885CYP1A2 210/4885CYP1A1 360/4885
US-20010014679-A1 Methods of modulating serine/threonine protein kinase function with quinazoline-based compounds RAF1, STK3, MKNK1 ABCG2 2593/4885CYP1A2 4779/4885CYP1A1 4847/4885

“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.