SCHEMBL4664093

SCHEMBL4664093

N#Cc1cc2c(Oc3ccc4[nH]ccc4c3)ccnc2cc1OCCCN1CCS(=O)(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.40
EGFR P00533 1/20 0.39
BTK Q06187 1/20 0.39
FGFR2 P21802 1/20 0.39
RET P07949 1/20 0.38
PRKCQ Q04759 3/20 0.38
PRKCD Q05655 3/20 0.38
SRC P12931 2/20 0.37
MAP2K1 Q02750 2/20 0.36
MET P08581 3/20 0.36
KDR P35968 1/20 0.36
AXL P30530 1/20 0.36
DNMT1 P26358 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
PDGFRB P09619 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL4664589 0.91 PRKCQ (0.46) LTA4HEGFRBTKFGFR2PRKCQ
SCHEMBL1893106 0.91 LTA4H (0.50) LTA4HFGFR2PRKCQPRKCDSRC
SCHEMBL4664535 0.88 EGFR (0.41) EGFRBTKFGFR2RETSRC
SCHEMBL4666067 0.85 EGFR (0.39) EGFRBTKFGFR2RETSRC
SCHEMBL4664570 0.84 PRKCQ (0.43) EGFRPRKCQPRKCDSRCMAP2K1
Hydrochloric Acid SCHEMBL4664553 0.84 PRKCQ (0.43) EGFRPRKCQPRKCDSRCMAP2K1
SCHEMBL1888540 0.80 ABL1 (0.43) EGFRPRKCQPRKCDSRCMET
SCHEMBL1889956 0.80 PDGFRB (0.43) PRKCQMETKDRAXLPDGFRB
SCHEMBL4666511 0.80 AXL (0.47) EGFRSRCMETKDRAXL
SCHEMBL4664125 0.80 SRC (0.46) EGFRBTKFGFR2RETSRC

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
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity HENNEQUIN LAURENT FRANCOIS ANDRE 2008-12-18 US claimed
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity ASTRAZENECA AB (SE) 2003-10-23 US claimed
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity HENNEQUIN LAURENT FRANCOIS ANDRE 2008-12-18 US disclosed
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity HENNEQUIN LAURENT FRANCOIS ANDRE 2008-12-18 US disclosed
US-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity HENNEQUIN LAURENT FRANCOIS ANDRE 2008-12-18 US disclosed
US-7371765-B2 Quinoline derivatives having VEGF inhibiting activity ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-7371765-B2 Quinoline derivatives having VEGF inhibiting activity ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-7371765-B2 Quinoline derivatives having VEGF inhibiting activity ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity ASTRAZENECA AB (SE) 2003-10-23 US disclosed
EP-1313726-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-28 EP disclosed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 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-20080312273-A1 Quinoline Derivatives Having Vegf Inhibiting Activity VEGFA, FLT1, FLT4 LTA4H 3621/4885EGFR 426/4885BTK 1616/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 LTA4H 3805/4885EGFR 512/4885BTK 2808/4885

“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.