SCHEMBL6976865

SCHEMBL6976865

C/C(CO)=N/OCCN1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 5/20 0.36
PSMB5 P28074 5/20 0.36
PSMB2 P49721 4/20 0.34
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LTA4H P09960 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL9945570 0.84 PSMB1 (0.40) PSMB1PSMB5PSMB2KDM4ELTA4H
SCHEMBL6978681 0.82 PSMB1 (0.39) PSMB1PSMB5PSMB2TDP1KDM4E
SCHEMBL6978964 0.82 PSMB1 (0.35) PSMB1PSMB5PSMB2TDP1KDM4E
SCHEMBL13151498 0.81 PSMB1 (0.41) PSMB1PSMB5PSMB2KDM4EPOLB
SCHEMBL9975277 0.81 PSMB1 (0.41) PSMB1PSMB5PSMB2KDM4EPOLB
Hydrochloric Acid SCHEMBL28035282 0.79 PSMB1 (0.41) PSMB1PSMB5PSMB2KDM4ENPC1
SCHEMBL16837520 0.77 PSMB1 (0.38) PSMB1PSMB5PSMB2KDM4EPOLB
SCHEMBL9944262 0.76 PSMB1 (0.43) PSMB1PSMB5PSMB2KDM4ENPC1
SCHEMBL6959365 0.76 PSMB1 (0.37) PSMB1PSMB5PSMB2TDP1KDM4E
SCHEMBL6977469 0.76 PSMB1 (0.37) PSMB1PSMB5PSMB2TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854789-B1 QUINAZOLINE DERIVATIVE HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2013-10-09 EP disclosed
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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 (2 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 PSMB1 2822/4885PSMB5 2481/4885PSMB2 2104/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 PSMB1 2822/4885PSMB5 2481/4885PSMB2 2104/4885

“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.