SCHEMBL6979252

SCHEMBL6979252

CC(=O)N1CCC(NCCON=C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.42
EPHX1 P07099 4/20 0.42
MAPT P10636 1/20 0.39
OPRL1 P41146 3/20 0.39
KDM4E B2RXH2 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL6976420 0.83 DPP7 (0.40) OPRL1
SCHEMBL6978880 0.82 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL23640028 0.81 EPHX2 (0.46) EPHX2EPHX1MAPTOPRL1KDM4E
SCHEMBL6959729 0.81 EPHX2 (0.37) EPHX2EPHX1MAPTOPRL1KDM4E
SCHEMBL23634806 0.80 EPHX2 (0.45) EPHX2EPHX1MAPTOPRL1KDM4E
SCHEMBL6976860 0.80 TP53 (0.41) EPHX2EPHX1OPRL1ALDH1A1SMN1; SMN2
SCHEMBL6980139 0.78 KDM4E (0.41) EPHX1KDM4EALDH1A1
SCHEMBL24481225 0.76 EPHX2 (0.50) EPHX2EPHX1MAPTOPRL1KDM4E
SCHEMBL11897006 0.76 EPHX2 (0.50) EPHX2EPHX1MAPTOPRL1
SCHEMBL6976911 0.75 OPRL1 (0.33) OPRL1KDM4E

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 EPHX2 4292/4885EPHX1 4148/4885MAPT 4100/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 EPHX2 4292/4885EPHX1 4148/4885MAPT 4100/4885

“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.