SCHEMBL6794863

SCHEMBL6794863

C#Cc1cccc(Nc2ncnc3cc4c(cc23)OC(COC)C(COC)O4)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.74
ERBB2 P04626 4/20 0.63
GAK O14976 3/20 0.63
RIPK2 O43353 2/20 0.63
BUB1 O43683 2/20 0.63
STK10 O94804 2/20 0.63
MAP3K1 Q13233 2/20 0.63
PIP4K2C Q8TBX8 2/20 0.63
SLK Q9H2G2 2/20 0.63
ABCG2 Q9UNQ0 2/20 0.63
PLK4 O00444 1/20 0.63
CIT O14578 1/20 0.63
AURKA O14965 1/20 0.63
EPHB6 O15197 1/20 0.63
SLC22A1 O15245 1/20 0.63
DAPK3 O43293 1/20 0.63
KDM1A O60341 1/20 0.63
JAK2 O60674 1/20 0.63
RPS6KA4 O75676 1/20 0.63
STK17B O94768 1/20 0.63

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
SCHEMBL6796326 0.89 EGFR (0.71) EGFRERBB2GAKRIPK2BUB1
SCHEMBL13285619 0.86 EGFR (0.72) EGFRERBB2GAKRIPK2BUB1
SCHEMBL6795102 0.85 EGFR (1.00) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL6794377 0.85 EGFR (0.78) EGFRERBB2GAKABCG2ABL1
SCHEMBL6794722 0.85 EGFR (1.00) EGFRERBB2ABL1LMNARAF1
SCHEMBL20865234 0.79 EGFR (1.00) EGFRGAKRIPK2BUB1STK10
SCHEMBL1507604 0.79 EGFR (0.87) EGFRERBB2GAKRIPK2BUB1
SCHEMBL2464248 0.79 EGFR (0.82) EGFRERBB2GAKRIPK2BUB1
Hydrochloric Acid SCHEMBL1507697 0.78 EGFR (0.85) EGFRERBB2GAKRIPK2BUB1
SCHEMBL667895 0.78 EGFR (1.00) EGFRERBB2GAKRIPK2BUB1

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 1/4885ERBB2 2/4885GAK 39/4885

“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.