SCHEMBL6957848

SCHEMBL6957848

CC(C)C(=NOCCN1CCCC1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
PSMB1 P20618 2/20 0.38
PSMB5 P28074 2/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PSMB2 P49721 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
LTA4H P09960 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6959365 0.84 PSMB1 (0.37) KDM4EPSMB1PSMB5HTTALDH1A1
SCHEMBL6977469 0.84 PSMB1 (0.37) KDM4EPSMB1PSMB5HTTALDH1A1
SCHEMBL6957764 0.82 PSMB1 (0.40) KDM4EPSMB1PSMB5ALDH1A1KMT2A
SCHEMBL6955131 0.82 RAB9A (0.33) MEN1KMT2A
SCHEMBL6978681 0.79 PSMB1 (0.39) KDM4EPSMB1PSMB5PSMB2LTA4H
SCHEMBL6959426 0.77 PSMB1 (0.33) KDM4EPSMB1PSMB5HTTALDH1A1
SCHEMBL9975277 0.77 PSMB1 (0.41) KDM4EPSMB1PSMB5ALDH1A1PSMB2
SCHEMBL13151498 0.77 PSMB1 (0.41) KDM4EPSMB1PSMB5ALDH1A1PSMB2
Hydrochloric Acid SCHEMBL28035282 0.76 PSMB1 (0.41) KDM4EPSMB1PSMB5HTTALDH1A1
SCHEMBL6958662 0.75 PSMB1 (0.35) PSMB1PSMB5HTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2805/4885PSMB1 2822/4885PSMB5 2481/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 KDM4E 2805/4885PSMB1 2822/4885PSMB5 2481/4885

“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.