SCHEMBL6478003

SCHEMBL6478003

COc1cc2c(Cl)ncnc2cc1OCCCC1CNCCS1(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.54
EPHA2 P29317 10/20 0.40
KDR P35968 9/20 0.39
EPHB4 P54760 5/20 0.39
EGFR P00533 4/20 0.38
FGFR1 P11362 2/20 0.38
FLT1 P17948 2/20 0.38
FLT4 P35916 2/20 0.38
ERBB2 P04626 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL4593476 0.81 ENPP1 (0.59) ENPP1EPHA2KDREPHB4EGFR
SCHEMBL4590452 0.81 ENPP1 (0.59) ENPP1EPHA2KDREPHB4EGFR
SCHEMBL15520006 0.78 EPHA2 (0.58) ENPP1EPHA2KDREPHB4
SCHEMBL30864338 0.74 ENPP1 (0.79) ENPP1KDREGFRFGFR1FLT1
SCHEMBL1013021 0.74 ENPP1 (0.79) ENPP1EPHA2KDREPHB4EGFR
SCHEMBL1013051 0.74 ENPP1 (0.79) ENPP1KDREGFRFGFR1FLT1
SCHEMBL1015576 0.74 ENPP1 (0.79) ENPP1KDREGFRFGFR1FLT1
SCHEMBL662795 0.74 ENPP1 (0.79) ENPP1EPHA2KDREPHB4EGFR
SCHEMBL31620798 0.74 ENPP1 (0.79) ENPP1KDREGFRFGFR1FLT1
SCHEMBL1012358 0.74 ENPP1 (0.79) ENPP1EPHA2KDREPHB4EGFR

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-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US disclosed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 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-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 ENPP1 3445/4885EPHA2 3735/4885KDR 2216/4885

“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.