SCHEMBL2126512

SCHEMBL2126512

COc1ccc(Oc2cccc3ncnc(N)c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.51
DCPS Q96C86 1/20 0.44
KDR P35968 7/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TEK Q02763 4/20 0.43
LCK P06239 3/20 0.43
PPARG P37231 1/20 0.42
KMT2A Q03164 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
UBE2N P61088 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABL1 P00519 2/20 0.41
EGFR P00533 2/20 0.41
SRC P12931 2/20 0.41
ABL2 P42684 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
SCHEMBL2124448 0.87 MAP4K4 (0.42) MAP4K4DCPSKDRTEKLCK
SCHEMBL4746293 0.86 MAP4K4 (0.50) MAP4K4DCPSKDRTEKLCK
SCHEMBL2125597 0.85 RET (0.44) MAP4K4DCPSKDRTEKLCK
SCHEMBL18312193 0.84 DCPS (0.60) MAP4K4DCPSKDRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL28184981 0.83 DCPS (0.58) MAP4K4DCPSKDRKDM4EALDH1A1
SCHEMBL2128198 0.80 DCPS (0.55) DCPSRAB9ASMN1; SMN2EGFRPIK3CD
SCHEMBL2128429 0.79 DCPS (0.72) DCPS
SCHEMBL15293096 0.78 DCPS (0.54) DCPSKDRNPC1RAB9AKMT2A
SCHEMBL2128153 0.77 MAP4K4 (0.55) MAP4K4KDRALDH1A1SMN1; SMN2ABL1
SCHEMBL2125109 0.77 NOS1 (0.41) MAP4K4EGFRPIK3CDPIK3CAPIK3CB

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 MAP4K4 1558/4885DCPS 4329/4885KDR 2394/4885
US-20010014679-A1 Methods of modulating serine/threonine protein kinase function with quinazoline-based compounds RAF1, STK3, MKNK1 MAP4K4 52/4885DCPS 3645/4885KDR 2984/4885

“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.