SCHEMBL6979761

SCHEMBL6979761

CC(C)=NOCC(=O)NCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LGALS1 P09382 1/20 0.44
DNM1 Q05193 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP2 P42575 1/20 0.39
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL17740185 0.80 FAAH (0.43) ALDH1A1LMNASMN1; SMN2TSHRPOLB
SCHEMBL6980315 0.80 LMNA (0.41) ALDH1A1CYP2D6LMNASMN1; SMN2MAPT
SCHEMBL15304780 0.77 LGALS1 (0.39) LGALS1DNM1NPSR1ALDH1A1CYP1A2
SCHEMBL19704261 0.76 FAAH (0.60) LMNASMN1; SMN2CASP2L3MBTL1
SCHEMBL13450956 0.76 DNM1 (0.50) LGALS1DNM1NPSR1ALDH1A1CYP1A2
SCHEMBL13934654 0.76 LMNA (0.47) CYP1A2CYP2C19LMNASMN1; SMN2TSHR
SCHEMBL6960153 0.75 LGALS1 (0.37) LGALS1DNM1NPSR1ALDH1A1CYP1A2
SCHEMBL20880002 0.75 LGALS1 (0.47) LGALS1DNM1NPSR1ALDH1A1CYP1A2
SCHEMBL6979772 0.72 LMNA (0.36) ALDH1A1LMNASMN1; SMN2TSHRHPGD
SCHEMBL25039092 0.71 LGALS1 (0.47) LGALS1DNM1NPSR1ALDH1A1CYP1A2

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 LGALS1 4500/4885DNM1 3404/4885NPSR1 209/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 LGALS1 4500/4885DNM1 3404/4885NPSR1 209/4885

“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.