SCHEMBL6961255

SCHEMBL6961255

CC(C)CCN1CC[C@@H](OC(N)=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
PARP1 P09874 2/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
NAMPT P43490 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 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
SCHEMBL28249223 1.00 ATM (0.40) ATMARG1ARG2PARP1CYP3A4
SCHEMBL9975294 0.84 ATM (0.42) ATMPARP1CYP2D6CHRM3SMN1; SMN2
SCHEMBL28249239 0.84 ATM (0.42) ATMPARP1CYP2D6CHRM3SMN1; SMN2
SCHEMBL26088863 0.80 SMN1; SMN2 (0.50) ATMCYP3A4CYP1A2CYP2D6CHRM2
SCHEMBL28249234 0.79 NTMT1 (0.37) ARG1ARG2CYP2D6NAMPTCHRM3
SCHEMBL29103884 0.78 CHRM2 (0.40) ATMCHRM2CHRM3
SCHEMBL28972352 0.78 CHRM2 (0.40) ATMCHRM2CHRM3
SCHEMBL3694792 0.77 CYP3A4 (0.43) ATMCYP3A4CYP1A2CYP2D6SMN1; SMN2
SCHEMBL3694790 0.77 CYP3A4 (0.43) ATMCYP3A4CYP1A2CYP2D6SMN1; SMN2
SCHEMBL13519661 0.77 ARG1 (0.41) ARG1ARG2PARP1CYP3A4CYP1A2

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 ATM 373/4885ARG1 828/4885ARG2 2078/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 ATM 373/4885ARG1 828/4885ARG2 2078/4885

“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.