SCHEMBL6960153

SCHEMBL6960153

CC#C/C(=N\OCC(=O)NCCN(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LGALS1 P09382 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DNM1 Q05193 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP2 P42575 1/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ACKR3 P25106 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6961038 0.85 RAB9A (0.39) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL15304780 0.81 LGALS1 (0.39) LGALS1NPSR1ALDH1A1DNM1CYP1A2
SCHEMBL6979761 0.75 LGALS1 (0.44) LGALS1NPSR1ALDH1A1DNM1CYP1A2
SCHEMBL6955318 0.74 TSHR (0.30) TSHR
SCHEMBL9911436 0.69 LGALS1 (0.47) LGALS1NPSR1ALDH1A1DNM1CYP1A2
SCHEMBL21131782 0.68 LGALS1 (0.43) LGALS1NPSR1ALDH1A1DNM1CYP1A2
SCHEMBL9973603 0.67 PAOX (0.31)
SCHEMBL13450956 0.66 DNM1 (0.50) LGALS1NPSR1ALDH1A1DNM1CYP1A2
SCHEMBL15304835 0.66 LMNA (0.36) ALDH1A1LMNASMN1; SMN2
SCHEMBL6960674 0.66

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 4500/4885NPSR1 209/4885ALDH1A1 4593/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 LGALS1 4500/4885NPSR1 209/4885ALDH1A1 4593/4885

“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.