SCHEMBL6446680

SCHEMBL6446680

COc1cc2c(Nc3c(Cl)ccc4c(Br)coc34)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.76
KDR P35968 12/20 0.76
CSK P41240 1/20 0.69
TEK Q02763 1/20 0.69
EGFR P00533 5/20 0.69
EPHB4 P54760 2/20 0.64
FLT4 P35916 2/20 0.64
RET P07949 2/20 0.64
CIT O14578 1/20 0.64
GAK O14976 1/20 0.64
EPHB6 O15197 1/20 0.64
ABCC4 O15439 1/20 0.64
DAPK3 O43293 1/20 0.64
RIPK2 O43353 1/20 0.64
NR1I2 O75469 1/20 0.64
RPS6KA4 O75676 1/20 0.64
STK17B O94768 1/20 0.64
STK10 O94804 1/20 0.64
PRKD3 O94806 1/20 0.64
ABCB11 O95342 1/20 0.64

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
SCHEMBL6448777 0.93 KDR (0.66) SRCKDRCSKTEKEGFR
SCHEMBL6055771 0.86 SRC (1.00) SRCKDRCSKTEKEGFR
SCHEMBL3679536 0.85 SRC (1.00) SRCKDRCSKTEKEGFR
SCHEMBL3743570 0.81 KDR (1.00) SRCKDREGFRFLT4FGFR1
SCHEMBL6906281 0.80 EGFR (0.86) SRCKDREGFREPHB4FLT4
SCHEMBL5958954 0.80 RET (0.72) SRCKDRCSKTEKEGFR
SCHEMBL3673614 0.80 KDR (0.88) SRCKDRCSKTEKEGFR
SCHEMBL27957018 0.80 EGFR (0.88) SRCKDREGFREPHB4FLT4
SCHEMBL15591842 0.79 EGFR (0.89) SRCKDREGFREPHB4FLT4
SCHEMBL28350781 0.79 EGFR (0.76) SRCKDRCSKTEKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065018-A1 Preparation and use of heterogeneous catalyst components for olefins polymerization (1) REPSOL QUIMICA S.A. 2005-03-24 US disclosed
US-6849625-B2 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2005-02-01 US disclosed
EP-0953580-B1 Preparation and use of heterogeneous catalyst components for olefins polymerization REPSOL QUIMICA SA (ES) 2004-04-14 EP disclosed
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2004-03-11 US disclosed
US-20030144135-A1 PREPARATION AND USE OF HETEROGENEOUS CATALYST COMPONENTS FOR OLEFINS POLYMERIZATION REPSOL QUIMICA S.A. (ES) 2003-07-31 US disclosed
EP-1326859-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO disclosed
EP-0955306-B1 Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA SA (ES) 2003-01-22 EP disclosed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO disclosed
US-6114555-A Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA S.A. (ES) 2000-09-05 US disclosed
EP-0955306-A1 Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA S.A. (ES) 1999-11-10 EP disclosed
EP-0953580-A1 Preparation and use of heterogeneous catalyst components for olefins polymerization REPSOL QUIMICA S.A. (ES) 1999-11-03 EP 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 (1 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-20040048881-A1 Quinazoline derivatives with anti-tumour activity TOP1, NQO2, ABCC1 SRC 2823/4885KDR 2192/4885CSK 1123/4885

“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.