SCHEMBL6797080

SCHEMBL6797080

c1ccc(Nc2ncnc3cc4c(cc23)OCCO4)cc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.81
ABL1 P00519 6/20 0.81
FGFR1 P11362 6/20 0.81
SRC P12931 6/20 0.81
PDGFRB P09619 4/20 0.81
KDR P35968 2/20 0.69
GAK O14976 1/20 0.65
RIPK2 O43353 1/20 0.65
BUB1 O43683 1/20 0.65
STK10 O94804 1/20 0.65
CARS1 P49589 1/20 0.65
MAP3K1 Q13233 1/20 0.65
PIP4K2C Q8TBX8 1/20 0.65
SLK Q9H2G2 1/20 0.65

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
SCHEMBL21967048 0.96 EGFR (0.76) EGFRABL1FGFR1SRCPDGFRB
SCHEMBL12610821 0.90 EGFR (1.00) EGFRABL1FGFR1SRCPDGFRB
SCHEMBL24329477 0.85 EGFR (1.00) EGFRABL1FGFR1SRCPDGFRB
SCHEMBL2102234 0.85 EGFR (0.74) EGFRABL1FGFR1SRCPDGFRB
SCHEMBL16449752 0.85 EGFR (1.00) EGFRABL1FGFR1SRCPDGFRB
Hydrochloric Acid SCHEMBL12611063 0.84 EGFR (1.00) EGFRABL1FGFR1SRCPDGFRB
SCHEMBL20865327 0.82 EGFR (1.00) EGFRABL1FGFR1SRCPDGFRB
SCHEMBL5843277 0.82 EGFR (1.00) EGFRABL1FGFR1SRCPDGFRB
SCHEMBL20865234 0.82 EGFR (1.00) EGFRABL1FGFR1SRCPDGFRB
SCHEMBL5842496 0.82 EGFR (1.00) EGFRABL1FGFR1SRCPDGFRB

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 8 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-6835735-B2 Anticancer, tyrosine kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-12-28 US disclosed
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
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
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
JP-2003026682-A 4-(PHENYLAMINO)-[1,4]DIOXANO[2,3-g]QUINAZOLINE DERIVATIVE AND METHOD FOR PRODUCING THE SAME KOREA INST OF SCIENCE & TECHNOLOGY 2003-01-29 JP disclosed
JP-2003026682-A 4-(PHENYLAMINO)-[1,4]DIOXANO[2,3-g]QUINAZOLINE DERIVATIVE AND METHOD FOR PRODUCING THE SAME KOREA INST OF SCIENCE & TECHNOLOGY 2003-01-29 JP 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 1/4885ABL1 12/4885FGFR1 10/4885

“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.