SCHEMBL6794377

SCHEMBL6794377

COCC1Oc2cc3ncnc(Nc4cccc(Br)c4)c3cc2OC1COC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.78
FBP1 P09467 4/20 0.61
ERBB2 P04626 3/20 0.61
KDM4E B2RXH2 1/20 0.61
GAK O14976 1/20 0.61
MAPK13 O15264 1/20 0.61
ABL1 P00519 1/20 0.61
CYP1A2 P05177 1/20 0.61
CDK1 P06493 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
SRC P12931 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
EPHB2 P29323 1/20 0.61
CYP2C19 P33261 1/20 0.61
KDR P35968 1/20 0.61
MAPK12 P53778 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) EGFRFBP1ERBB2ABL1SRC
SCHEMBL6794722 0.88 EGFR (1.00) EGFRFBP1ERBB2KDM4EABL1
SCHEMBL6795090 0.86 EGFR (0.65) EGFRFBP1ERBB2KDM4EGAK
SCHEMBL6794863 0.85 EGFR (0.74) EGFRFBP1ERBB2GAKABL1
SCHEMBL12648302 0.85 EGFR (0.72) EGFRFBP1ERBB2KDM4EGAK
SCHEMBL6796326 0.83 EGFR (0.71) EGFRFBP1ERBB2GAKABL1
SCHEMBL24329477 0.78 EGFR (1.00) EGFRABL1SRC
SCHEMBL9423 0.76 EGFR (1.00) EGFRFBP1ERBB2KDM4EGAK
SCHEMBL30363011 0.76 EGFR (1.00) EGFRFBP1ERBB2KDM4EGAK
SCHEMBL29444884 0.76 EGFR (1.00) EGFRFBP1ERBB2KDM4EGAK

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 1/4885FBP1 2075/4885ERBB2 2/4885

“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.