SCHEMBL6794722

SCHEMBL6794722

COCC1Oc2cc3ncnc(Nc4cccc(Cl)c4)c3cc2OC1COC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 1.00
KDM4E B2RXH2 3/20 0.61
MAPT P10636 3/20 0.61
MAPK1 P28482 2/20 0.61
FBP1 P09467 2/20 0.61
MEN1 O00255 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
KMT2A Q03164 2/20 0.61
GMNN O75496 1/20 0.61
ALDH1A1 P00352 1/20 0.61
ABL1 P00519 1/20 0.61
LMNA P02545 1/20 0.61
RAF1 P04049 1/20 0.61
TP53 P04637 1/20 0.61
GLA P06280 1/20 0.61
SRC P12931 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61

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
SCHEMBL6795102 0.88 EGFR (1.00) EGFRFBP1ABL1SRCERBB2
SCHEMBL6794377 0.88 EGFR (0.78) EGFRKDM4EMAPTMAPK1FBP1
SCHEMBL6792872 0.86 EGFR (0.76) EGFRKDM4EMAPTMAPK1FBP1
SCHEMBL6794863 0.85 EGFR (0.74) EGFRMAPTFBP1CYP3A4ALDH1A1
SCHEMBL6796326 0.83 EGFR (0.71) EGFRMAPTFBP1CYP3A4ALDH1A1
SCHEMBL16449752 0.78 EGFR (1.00) EGFRABL1SRC
Tyrphostin Ag-1478 SCHEMBL29483198 0.76 EGFR (1.00) EGFRKDM4EMAPTMAPK1FBP1
Tyrphostin Ag-1478 SCHEMBL93838 0.76 EGFR (1.00) EGFRKDM4EMAPTMAPK1FBP1
Tyrphostin Ag-1478 SCHEMBL29350062 0.76 EGFR (1.00) EGFRKDM4EMAPTMAPK1FBP1
Tyrphostin Ag-1478 SCHEMBL31079458 0.76 EGFR (1.00) EGFRKDM4EMAPTMAPK1FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6835735-B2 Anticancer, tyrosine kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-12-28 US disclosed
US-20030045537-A1 4-(Phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives and process for preparing the same KOREAN INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-03-06 US 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-20030045537-A1 4-(Phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives and process for preparing the same EGFR, ERBB2, ERBB4 EGFR 1/4885KDM4E 2246/4885MAPT 3393/4885

“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.