SCHEMBL6979441

SCHEMBL6979441

C/C(=N/OCCNC1CCCCC1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
PABPC1 P11940 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 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
SCHEMBL9975280 0.92 KDM4E (0.35) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6959092 0.86 KDM4E (0.46) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9975313 0.85 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL6980139 0.83 KDM4E (0.41) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6958872 0.82 KDM4E (0.43) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6980214 0.79 CYP1A2 (0.42) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6959594 0.79 KDM4E (0.37) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL14878205 0.77 KDM4E (0.37) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6978880 0.74 KDM4E (0.34) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6956067 0.73 KDM4E (0.42) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19

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 2805/4885ALDH1A1 4593/4885CYP1A2 1375/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 KDM4E 2805/4885ALDH1A1 4593/4885CYP1A2 1375/4885

“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.