SCHEMBL4380948

SCHEMBL4380948

COc1cc2c(Oc3ccc4[nH]ccc4c3)ncnc2cc1OCC(O)CNC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.46
CYP2D6 P10635 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 2/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
HTR1A P08908 2/20 0.46
ADRB3 P13945 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD4 P21917 1/20 0.46
HTR1B P28222 1/20 0.46

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
SCHEMBL4382578 1.00 PDGFRB (0.46) PDGFRBCYP2D6CYP1A2CYP3A4LMNA
SCHEMBL4380958 1.00 PDGFRB (0.46) PDGFRBCYP2D6CYP1A2CYP3A4LMNA
SCHEMBL4380776 0.88 ABCB11 (0.48) PDGFRBCYP2D6HTR1ADRD3KDR
SCHEMBL4380783 0.88 ABCB11 (0.48) PDGFRBCYP2D6HTR1ADRD3KDR
SCHEMBL4382153 0.88 ABCB11 (0.48) PDGFRBCYP2D6HTR1ADRD3KDR
SCHEMBL6099713 0.87 KDR (0.45) PDGFRBKDREGFRRETKIF5B
SCHEMBL6099583 0.87 KDR (0.45) PDGFRBKDREGFRRETKIF5B
SCHEMBL4377871 0.86 KDR (0.46) PDGFRBHTR1AKDREGFRRET
SCHEMBL4378648 0.86 KDR (0.46) PDGFRBHTR1AKDREGFRRET
SCHEMBL4377862 0.86 KDR (0.46) PDGFRBHTR1AKDREGFRRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-7074800-B1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2006-07-11 US disclosed
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB 2006-01-05 US disclosed
EP-1553097-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE AstraZeneca AB (SE) 2005-07-13 EP disclosed
EP-1154774-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-06-22 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 (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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR PDGFRB 125/4885CYP2D6 1313/4885CYP1A2 807/4885
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors FLT4, NOS3, FLT1 PDGFRB 160/4885CYP2D6 2081/4885CYP1A2 2646/4885

“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.