SCHEMBL6980139

SCHEMBL6980139

CC(C)=NOCCNC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
DPP7 Q9UHL4 1/20 0.35
RAD52 P43351 1/20 0.34
LMNA P02545 1/20 0.34
CXCR4 P61073 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL6978880 0.91 KDM4E (0.34) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6980214 0.85 CYP1A2 (0.42) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6979441 0.83 KDM4E (0.41) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6976911 0.83 OPRL1 (0.33) KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL14878205 0.82 KDM4E (0.37) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6959092 0.81 KDM4E (0.46) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6976420 0.81 DPP7 (0.40) CYP2D6DPP7
SCHEMBL6979252 0.78 EPHX2 (0.42) KDM4EALDH1A1EPHX1
SCHEMBL6958872 0.78 KDM4E (0.43) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6976860 0.76 TP53 (0.41) ALDH1A1L3MBTL1LMNAEPHX1

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
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-20110257391-A1 PROCESS FOR PRODUCTION OF QUINAZOLINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2011-10-20 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 (3 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-20110257391-A1 PROCESS FOR PRODUCTION OF QUINAZOLINE DERIVATIVE ABL1, MAP2K5, MAP2K2 KDM4E 541/4885CYP1A2 390/4885CYP2D6 640/4885
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 KDM4E 2805/4885CYP1A2 1375/4885CYP2D6 1566/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 KDM4E 2805/4885CYP1A2 1375/4885CYP2D6 1566/4885

“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.