SCHEMBL6979961

SCHEMBL6979961

C/C=N/OCCNC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 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
RAD52 P43351 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
CXCR4 P61073 2/20 0.33
CXCL12 P48061 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPP7 Q9UHL4 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
SCHEMBL6956067 0.81 KDM4E (0.42) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6980139 0.75 KDM4E (0.41) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2774793 0.72 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL3530758 0.72 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL3536193 0.72 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6533951 0.72 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6959092 0.71 KDM4E (0.46) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6980214 0.71 CYP1A2 (0.42) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL20979365 0.70 L3MBTL1 (0.41) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6979441 0.70 KDM4E (0.41) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1

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-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 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-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.